4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine

C21H31N5 — CID 140891300

IUPAC4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine
SMILESCn1ncc(-c2ccnc(CC3CCC(N)CC3)n2)c1CC1CCCC1
InChIInChI=1S/C21H31N5/c1-26-20(12-15-4-2-3-5-15)18(14-24-26)19-10-11-23-21(25-19)13-16-6-8-17(22)9-7-16/h10-11,14-17H,2-9,12-13,22H2,1H3
InChIKeyWXQCXIVBPHBIPL-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.67
Rot. Bonds5

About 4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine

4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine (PubChem CID 140891300) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine
PubChem CID140891300
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine
SMILESCn1ncc(-c2ccnc(CC3CCC(N)CC3)n2)c1CC1CCCC1
InChIInChI=1S/C21H31N5/c1-26-20(12-15-4-2-3-5-15)18(14-24-26)19-10-11-23-21(25-19)13-16-6-8-17(22)9-7-16/h10-11,14-17H,2-9,12-13,22H2,1H3
InChIKeyWXQCXIVBPHBIPL-UHFFFAOYSA-N
XLogP3.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-piperidin-1-ylcyclohexyl)methyl]pyrimidine
CID 140891274
4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 175183375
2-butan-2-yl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine
CID 166750742
4-N-[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
CID 126558959
4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(3R)-3-methyl-4-(4-pyrrolidin-1-ylcyclohexyl)butan-2-yl]pyrimidine
CID 126559911
2-[(4-aminocyclohexyl)methyl]-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-1H-pyrimidin-6-one
CID 157485217
2-N-(4-aminocyclohexyl)-6-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidine-2,4-diamine
CID 135301368
4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)pyrimidin-2-amine
CID 126558969
2-(cyclopentylmethyl)pyrimidin-4-amine
CID 70097820
2-(4-cyclohexyl-3-methylbutan-2-yl)-4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine
CID 166750746
4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
CID 175049382
5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-2-[(4-pyrazol-1-ylcyclohexyl)methyl]pyrimidine
CID 140891296

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine (CID 140891300) is 4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine is Cn1ncc(-c2ccnc(CC3CCC(N)CC3)n2)c1CC1CCCC1.
What is the InChIKey of 4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine?
The InChIKey is WXQCXIVBPHBIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-26-20(12-15-4-2-3-5-15)18(14-24-26)19-10-11-23-21(25-19)13-16-6-8-17(22)9-7-16/h10-11,14-17H,2-9,12-13,22H2,1H3.
What are the key properties of 4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine?
4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine has a molecular weight of 353.51 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[5-(cyclopentylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 140891300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).