N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

C37H54N12O4 — CID 158532061

IUPACN-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCOC1CCC(Nc2cc(N3CCOCC3)nc(-n3ccc(C)n3)n2)CC1.Cc1ccn(-c2nc(NC3CCC(O)CC3)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C19H28N6O2.C18H26N6O2/c1-14-7-8-25(23-14)19-21-17(20-15-3-5-16(26-2)6-4-15)13-18(22-19)24-9-11-27-12-10-24;1-13-6-7-24(22-13)18-20-16(19-14-2-4-15(25)5-3-14)12-17(21-18)23-8-10-26-11-9-23/h7-8,13,15-16H,3-6,9-12H2,1-2H3,(H,20,21,22);6-7,12,14-15,25H,2-5,8-11H2,1H3,(H,19,20,21)
InChIKeyHNMMYJUMCFDMBH-UHFFFAOYSA-N
MW730.92 g/mol
LogP3.70
Rot. Bonds9

About N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 158532061) has the molecular formula C37H54N12O4 and a molecular weight of 730.92 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID158532061
Molecular FormulaC37H54N12O4
Molecular Weight730.92 g/mol
Exact Mass730.44
IUPAC NameN-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCOC1CCC(Nc2cc(N3CCOCC3)nc(-n3ccc(C)n3)n2)CC1.Cc1ccn(-c2nc(NC3CCC(O)CC3)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C19H28N6O2.C18H26N6O2/c1-14-7-8-25(23-14)19-21-17(20-15-3-5-16(26-2)6-4-15)13-18(22-19)24-9-11-27-12-10-24;1-13-6-7-24(22-13)18-20-16(19-14-2-4-15(25)5-3-14)12-17(21-18)23-8-10-26-11-9-23/h7-8,13,15-16H,3-6,9-12H2,1-2H3,(H,20,21,22);6-7,12,14-15,25H,2-5,8-11H2,1H3,(H,19,20,21)
InChIKeyHNMMYJUMCFDMBH-UHFFFAOYSA-N
XLogP3.70
TPSA165.66 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.92
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol 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

6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine
CID 157328774
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine
CID 158423289
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;N-(4,4-difluorocyclohexyl)-4-[2-(difluoromethoxymethyl)morpholin-4-yl]-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;2-(difluoromethoxymethyl)morpholine
CID 159427230
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;oxane
CID 160267504
[1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 160720642
6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine
CID 160793282
4-methyl-N-(4-((7-morpholino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidin-2-amine
CID 170338273
4-[[1-(2-Ethoxyethyl)-5-piperazin-1-yl-7-(pyrimidin-4-ylamino)pyrazolo[4,5-d]pyrimidin-3-yl]-methylamino]cyclohexan-1-ol
CID 69052399
4-[[2-(3-Methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 132207029
N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine
CID 132207043
[4-[6-Chloro-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;[4-[2-(3-methylpyrazol-1-yl)-6-piperidin-1-ylpyrimidin-4-yl]morpholin-2-yl]methanol;morpholin-2-ylmethanol;piperidine
CID 159484740

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 158532061) is N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is COC1CCC(Nc2cc(N3CCOCC3)nc(-n3ccc(C)n3)n2)CC1.Cc1ccn(-c2nc(NC3CCC(O)CC3)cc(N3CCOCC3)n2)n1.
What is the InChIKey of N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is HNMMYJUMCFDMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2.C18H26N6O2/c1-14-7-8-25(23-14)19-21-17(20-15-3-5-16(26-2)6-4-15)13-18(22-19)24-9-11-27-12-10-24;1-13-6-7-24(22-13)18-20-16(19-14-2-4-15(25)5-3-14)12-17(21-18)23-8-10-26-11-9-23/h7-8,13,15-16H,3-6,9-12H2,1-2H3,(H,20,21,22);6-7,12,14-15,25H,2-5,8-11H2,1H3,(H,19,20,21).
What are the key properties of N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 730.92 g/mol, XLogP of 3.70, 9 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;4-[[2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 158532061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).