4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine

C116H164ClN29O2 — CID 161410987

IUPAC4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine
SMILESCn1ncc(-c2cc(=O)[nH]c(CC3CCC(N)CC3)n2)c1CC1CC1.Cn1ncc(-c2cc(=O)[nH]c(CC3CCC(N)CC3)n2)c1CC1CC1.Cn1ncc(-c2cc(CC3CCC(N)CC3)nc(N)n2)c1CC1CC1.Cn1ncc(-c2cc(CC3CCC(N)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2cc(CC3CCC(N)CC3)ncn2)c1CC1CC1.Cn1ncc(-c2cccc(CC3CCC(N)CC3)n2)c1CC1CC1
InChIInChI=1S/C20H27ClN4.C20H28N4.C19H28N6.2C19H27N5O.C19H27N5/c1-25-20(9-14-2-3-14)18(11-24-25)17-10-16(23-12-19(17)21)8-13-4-6-15(22)7-5-13;1-24-20(12-15-5-6-15)18(13-22-24)19-4-2-3-17(23-19)11-14-7-9-16(21)10-8-14;1-25-18(9-13-2-3-13)16(11-22-25)17-10-15(23-19(21)24-17)8-12-4-6-14(20)7-5-12;2*1-24-17(8-12-2-3-12)15(11-21-24)16-10-19(25)23-18(22-16)9-13-4-6-14(20)7-5-13;1-24-19(9-14-2-3-14)17(11-23-24)18-10-16(21-12-22-18)8-13-4-6-15(20)7-5-13/h10-15H,2-9,22H2,1H3;2-4,13-16H,5-12,21H2,1H3;10-14H,2-9,20H2,1H3,(H2,21,23,24);2*10-14H,2-9,20H2,1H3,(H,22,23,25);10-15H,2-9,20H2,1H3
InChIKeyVVLRVURQAADYBO-UHFFFAOYSA-N
MW2032.24 g/mol
LogP17.37
Rot. Bonds30

About 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine

4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine (PubChem CID 161410987) has the molecular formula C116H164ClN29O2 and a molecular weight of 2032.24 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine
PubChem CID161410987
Molecular FormulaC116H164ClN29O2
Molecular Weight2032.24 g/mol
Exact Mass2030.33
IUPAC Name4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine
SMILESCn1ncc(-c2cc(=O)[nH]c(CC3CCC(N)CC3)n2)c1CC1CC1.Cn1ncc(-c2cc(=O)[nH]c(CC3CCC(N)CC3)n2)c1CC1CC1.Cn1ncc(-c2cc(CC3CCC(N)CC3)nc(N)n2)c1CC1CC1.Cn1ncc(-c2cc(CC3CCC(N)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2cc(CC3CCC(N)CC3)ncn2)c1CC1CC1.Cn1ncc(-c2cccc(CC3CCC(N)CC3)n2)c1CC1CC1
InChIInChI=1S/C20H27ClN4.C20H28N4.C19H28N6.2C19H27N5O.C19H27N5/c1-25-20(9-14-2-3-14)18(11-24-25)17-10-16(23-12-19(17)21)8-13-4-6-15(22)7-5-13;1-24-20(12-15-5-6-15)18(13-22-24)19-4-2-3-17(23-19)11-14-7-9-16(21)10-8-14;1-25-18(9-13-2-3-13)16(11-22-25)17-10-15(23-19(21)24-17)8-12-4-6-14(20)7-5-12;2*1-24-17(8-12-2-3-12)15(11-21-24)16-10-19(25)23-18(22-16)9-13-4-6-14(20)7-5-13;1-24-19(9-14-2-3-14)17(11-23-24)18-10-16(21-12-22-18)8-13-4-6-15(20)7-5-13/h10-15H,2-9,22H2,1H3;2-4,13-16H,5-12,21H2,1H3;10-14H,2-9,20H2,1H3,(H2,21,23,24);2*10-14H,2-9,20H2,1H3,(H,22,23,25);10-15H,2-9,20H2,1H3
InChIKeyVVLRVURQAADYBO-UHFFFAOYSA-N
XLogP17.37
TPSA457.90 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms148
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002032.24
LogP ≤ 517.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine (CID 161410987) is 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine is Cn1ncc(-c2cc(=O)[nH]c(CC3CCC(N)CC3)n2)c1CC1CC1.Cn1ncc(-c2cc(=O)[nH]c(CC3CCC(N)CC3)n2)c1CC1CC1.Cn1ncc(-c2cc(CC3CCC(N)CC3)nc(N)n2)c1CC1CC1.Cn1ncc(-c2cc(CC3CCC(N)CC3)ncc2Cl)c1CC1CC1.Cn1ncc(-c2cc(CC3CCC(N)CC3)ncn2)c1CC1CC1.Cn1ncc(-c2cccc(CC3CCC(N)CC3)n2)c1CC1CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine?
The InChIKey is VVLRVURQAADYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4.C20H28N4.C19H28N6.2C19H27N5O.C19H27N5/c1-25-20(9-14-2-3-14)18(11-24-25)17-10-16(23-12-19(17)21)8-13-4-6-15(22)7-5-13;1-24-20(12-15-5-6-15)18(13-22-24)19-4-2-3-17(23-19)11-14-7-9-16(21)10-8-14;1-25-18(9-13-2-3-13)16(11-22-25)17-10-15(23-19(21)24-17)8-12-4-6-14(20)7-5-12;2*1-24-17(8-12-2-3-12)15(11-21-24)16-10-19(25)23-18(22-16)9-13-4-6-14(20)7-5-13;1-24-19(9-14-2-3-14)17(11-23-24)18-10-16(21-12-22-18)8-13-4-6-15(20)7-5-13/h10-15H,2-9,22H2,1H3;2-4,13-16H,5-12,21H2,1H3;10-14H,2-9,20H2,1H3,(H2,21,23,24);2*10-14H,2-9,20H2,1H3,(H,22,23,25);10-15H,2-9,20H2,1H3.
What are the key properties of 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine?
4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine has a molecular weight of 2032.24 g/mol, XLogP of 17.37, 30 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)methyl]-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;bis(2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one);4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl]cyclohexan-1-amine;4-[[6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-4-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 161410987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).