4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine

C20H29N7 — CID 171637789

IUPAC4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CCCC3)[nH]n2)nc(NC2CCN(C3CC3)CC2)n1
InChIInChI=1S/C20H29N7/c1-2-4-14(3-1)17-13-19(26-25-17)23-18-7-10-21-20(24-18)22-15-8-11-27(12-9-15)16-5-6-16/h7,10,13-16H,1-6,8-9,11-12H2,(H3,21,22,23,24,25,26)
InChIKeyVUPBRSZVZSJRFI-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.64
Rot. Bonds6

About 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine

4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 171637789) has the molecular formula C20H29N7 and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID171637789
Molecular FormulaC20H29N7
Molecular Weight367.50 g/mol
Exact Mass367.25
IUPAC Name4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CCCC3)[nH]n2)nc(NC2CCN(C3CC3)CC2)n1
InChIInChI=1S/C20H29N7/c1-2-4-14(3-1)17-13-19(26-25-17)23-18-7-10-21-20(24-18)22-15-8-11-27(12-9-15)16-5-6-16/h7,10,13-16H,1-6,8-9,11-12H2,(H3,21,22,23,24,25,26)
InChIKeyVUPBRSZVZSJRFI-UHFFFAOYSA-N
XLogP3.64
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(1-cyclopropylpiperidin-4-yl)propan-2-one
CID 163628097
[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl] carbamate
CID 175176525
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-[1-(2-hydroxyethyl)piperidin-4-yl]propan-2-one
CID 163594369
phenyl N-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 154687395
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(2-methoxyethyl)urea
CID 162490781
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;ethane;methylcyclohexane
CID 154687415
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 162002433
1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]-2-hydrazinylidene-3-methyliminopropan-1-one
CID 174114784
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;2-methylbutane;molecular hydrogen
CID 169155625
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]cyclohexyl]-3-(4-methyloxan-4-yl)propan-2-one
CID 163732027
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 170298164
2-[4-(chloromethyl)-2-azabicyclo[2.1.1]hexan-2-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170033

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 171637789) is 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine is c1cc(Nc2cc(C3CCCC3)[nH]n2)nc(NC2CCN(C3CC3)CC2)n1.
What is the InChIKey of 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is VUPBRSZVZSJRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7/c1-2-4-14(3-1)17-13-19(26-25-17)23-18-7-10-21-20(24-18)22-15-8-11-27(12-9-15)16-5-6-16/h7,10,13-16H,1-6,8-9,11-12H2,(H3,21,22,23,24,25,26).
What are the key properties of 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine?
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 367.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 171637789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).