N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine

C21H32N6 — CID 169170155

IUPACN-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCCC(C)CC1CCN(c2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)C1
InChIInChI=1S/C21H32N6/c1-3-15(2)12-16-9-11-27(14-16)21-22-10-8-19(24-21)23-20-13-18(25-26-20)17-6-4-5-7-17/h8,10,13,15-17H,3-7,9,11-12,14H2,1-2H3,(H2,22,23,24,25,26)
InChIKeySEXRHQWNFZPXEL-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.86
Rot. Bonds7

About N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine

N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 169170155) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID169170155
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC NameN-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCCC(C)CC1CCN(c2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)C1
InChIInChI=1S/C21H32N6/c1-3-15(2)12-16-9-11-27(14-16)21-22-10-8-19(24-21)23-20-13-18(25-26-20)17-6-4-5-7-17/h8,10,13,15-17H,3-7,9,11-12,14H2,1-2H3,(H2,22,23,24,25,26)
InChIKeySEXRHQWNFZPXEL-UHFFFAOYSA-N
XLogP4.86
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

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-propylpyrrolidin-1-yl)pyrimidin-4-amine
CID 169160087
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 169170094
tert-butyl 4-[1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyrrolidin-3-yl]-3-methylbutanoate
CID 169170015
2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 170131198
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 170132228
2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170320
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-[(2R)-2-(methylaminomethyl)morpholin-4-yl]pyrimidin-4-amine
CID 169170276
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 162002433
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;2-methylbutane;molecular hydrogen
CID 169155625
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-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 169170155) is N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine is CCC(C)CC1CCN(c2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)C1.
What is the InChIKey of N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is SEXRHQWNFZPXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-3-15(2)12-16-9-11-27(14-16)21-22-10-8-19(24-21)23-20-13-18(25-26-20)17-6-4-5-7-17/h8,10,13,15-17H,3-7,9,11-12,14H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine?
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 368.53 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 169170155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).