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

C15H21N7 — CID 170131198

IUPAC2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESNC[C@@H]1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C1
InChIInChI=1S/C15H21N7/c16-8-10-4-6-22(9-10)15-17-5-3-13(19-15)18-14-7-12(20-21-14)11-1-2-11/h3,5,7,10-11H,1-2,4,6,8-9,16H2,(H2,17,18,19,20,21)/t10-/m0/s1
InChIKeyRREAHZXDJLPLLZ-JTQLQIEISA-N
MW299.38 g/mol
LogP1.61
Rot. Bonds5

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

2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 170131198) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID170131198
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESNC[C@@H]1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C1
InChIInChI=1S/C15H21N7/c16-8-10-4-6-22(9-10)15-17-5-3-13(19-15)18-14-7-12(20-21-14)11-1-2-11/h3,5,7,10-11H,1-2,4,6,8-9,16H2,(H2,17,18,19,20,21)/t10-/m0/s1
InChIKeyRREAHZXDJLPLLZ-JTQLQIEISA-N
XLogP1.61
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 170131198) is 2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine is NC[C@@H]1CCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C1.
What is the InChIKey of 2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is RREAHZXDJLPLLZ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N7/c16-8-10-4-6-22(9-10)15-17-5-3-13(19-15)18-14-7-12(20-21-14)11-1-2-11/h3,5,7,10-11H,1-2,4,6,8-9,16H2,(H2,17,18,19,20,21)/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 170131198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).