N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen

C20H31N7 — CID 162002433

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
SMILES[H][H].c1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C20H29N7.H2/c1-2-10-26(11-3-1)16-7-12-27(13-8-16)20-21-9-6-18(23-20)22-19-14-17(24-25-19)15-4-5-15;/h6,9,14-16H,1-5,7-8,10-13H2,(H2,21,22,23,24,25);1H
InChIKeyYSJVGJNUWPKKDH-UHFFFAOYSA-N
MW369.52 g/mol
LogP3.52
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen (PubChem CID 162002433) has the molecular formula C20H31N7 and a molecular weight of 369.52 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
PubChem CID162002433
Molecular FormulaC20H31N7
Molecular Weight369.52 g/mol
Exact Mass369.26
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
SMILES[H][H].c1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C20H29N7.H2/c1-2-10-26(11-3-1)16-7-12-27(13-8-16)20-21-9-6-18(23-20)22-19-14-17(24-25-19)15-4-5-15;/h6,9,14-16H,1-5,7-8,10-13H2,(H2,21,22,23,24,25);1H
InChIKeyYSJVGJNUWPKKDH-UHFFFAOYSA-N
XLogP3.52
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen with MolForge

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Related Compounds

2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 170131198
2-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 176763076
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 170132228
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(3-propylpyrrolidin-1-yl)pyrimidin-4-amine
CID 169160087
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(1-cyclopropylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 171637789
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 169170094
1-[1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyrrolidin-3-yl]propane-2-thiol
CID 169160007
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 169170155
2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170191
3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile
CID 169170069
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(2R)-2-(methylaminomethyl)morpholin-4-yl]pyrimidin-4-amine
CID 169170276
tert-butyl N-[1-[(3R)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyrrolidin-3-yl]ethenyl]carbamate
CID 170133122

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen (CID 162002433) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen is [H][H].c1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCC(N3CCCCC3)CC2)n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen?
The InChIKey is YSJVGJNUWPKKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7.H2/c1-2-10-26(11-3-1)16-7-12-27(13-8-16)20-21-9-6-18(23-20)22-19-14-17(24-25-19)15-4-5-15;/h6,9,14-16H,1-5,7-8,10-13H2,(H2,21,22,23,24,25);1H.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen has a molecular weight of 369.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 162002433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).