N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine

C19H26N6 — CID 170132228

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCC1(C)C[C@H]1C1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C1
InChIInChI=1S/C19H26N6/c1-19(2)10-14(19)13-6-8-25(11-13)18-20-7-5-16(22-18)21-17-9-15(23-24-17)12-3-4-12/h5,7,9,12-14H,3-4,6,8,10-11H2,1-2H3,(H2,20,21,22,23,24)/t13?,14-/m0/s1
InChIKeyJTHBLFHXJMWPRD-KZUDCZAMSA-N
MW338.46 g/mol
LogP3.69
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 170132228) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID170132228
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCC1(C)C[C@H]1C1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C1
InChIInChI=1S/C19H26N6/c1-19(2)10-14(19)13-6-8-25(11-13)18-20-7-5-16(22-18)21-17-9-15(23-24-17)12-3-4-12/h5,7,9,12-14H,3-4,6,8,10-11H2,1-2H3,(H2,20,21,22,23,24)/t13?,14-/m0/s1
InChIKeyJTHBLFHXJMWPRD-KZUDCZAMSA-N
XLogP3.69
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 176763076
2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 170131198
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(3-propylpyrrolidin-1-yl)pyrimidin-4-amine
CID 169160087
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(2R)-2-(methylaminomethyl)morpholin-4-yl]pyrimidin-4-amine
CID 169170276
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
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 162002433
2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170320
tert-butyl N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 170132149
2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170191
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-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 170132228) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine is CC1(C)C[C@H]1C1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is JTHBLFHXJMWPRD-KZUDCZAMSA-N. The full InChI is InChI=1S/C19H26N6/c1-19(2)10-14(19)13-6-8-25(11-13)18-20-7-5-16(22-18)21-17-9-15(23-24-17)12-3-4-12/h5,7,9,12-14H,3-4,6,8,10-11H2,1-2H3,(H2,20,21,22,23,24)/t13?,14-/m0/s1.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 338.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 170132228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).