5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine

C20H28N6 — CID 165178069

IUPAC5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ncc(C3CCN(C4CCCC4)CC3)c(N)n2)ccn1
InChIInChI=1S/C20H28N6/c1-14-12-16(6-9-22-14)24-20-23-13-18(19(21)25-20)15-7-10-26(11-8-15)17-4-2-3-5-17/h6,9,12-13,15,17H,2-5,7-8,10-11H2,1H3,(H3,21,22,23,24,25)
InChIKeyCHCRVRFWINZUNS-UHFFFAOYSA-N
MW352.49 g/mol
LogP3.63
Rot. Bonds4

About 5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine

5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine (PubChem CID 165178069) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine
PubChem CID165178069
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ncc(C3CCN(C4CCCC4)CC3)c(N)n2)ccn1
InChIInChI=1S/C20H28N6/c1-14-12-16(6-9-22-14)24-20-23-13-18(19(21)25-20)15-7-10-26(11-8-15)17-4-2-3-5-17/h6,9,12-13,15,17H,2-5,7-8,10-11H2,1H3,(H3,21,22,23,24,25)
InChIKeyCHCRVRFWINZUNS-UHFFFAOYSA-N
XLogP3.63
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-[1-(cyclohexylmethyl)piperidin-4-yl]-2-N-(2-methoxy-4-pyridinyl)pyrimidine-2,4-diamine
CID 167267173
5-[1-(cyclopentylmethyl)piperidin-4-yl]-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]pyrimidine-2,4-diamine
CID 167267179
4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide
CID 167266688
2-N-(2-chloro-4-pyridinyl)-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266686
5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 67156362
[4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone
CID 153365871
2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266695
4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 153365816
4-[[5-cyclohexyl-2-[(2-piperidin-1-yl-4-pyridinyl)amino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167653105
2-N-(7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrimidine-2,4-diamine
CID 175860154
1-cyclopentyl-4-(2,4-dimethylphenyl)piperidine
CID 145201181
1-(1-cyclohexylpiperidin-4-yl)isoquinolin-6-amine
CID 68591563

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine (CID 165178069) is 5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ncc(C3CCN(C4CCCC4)CC3)c(N)n2)ccn1.
What is the InChIKey of 5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine?
The InChIKey is CHCRVRFWINZUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-14-12-16(6-9-22-14)24-20-23-13-18(19(21)25-20)15-7-10-26(11-8-15)17-4-2-3-5-17/h6,9,12-13,15,17H,2-5,7-8,10-11H2,1H3,(H3,21,22,23,24,25).
What are the key properties of 5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine?
5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine has a molecular weight of 352.49 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 165178069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).