2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine

C19H22N6 — CID 175210493

IUPAC2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCCN1CCCC1c1nccc(Nc2ccc(-c3cn[nH]c3)cc2)n1
InChIInChI=1S/C19H22N6/c1-2-25-11-3-4-17(25)19-20-10-9-18(24-19)23-16-7-5-14(6-8-16)15-12-21-22-13-15/h5-10,12-13,17H,2-4,11H2,1H3,(H,21,22)(H,20,23,24)
InChIKeyUENCHSVBCWCMJG-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.77
Rot. Bonds5

About 2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine

2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine (PubChem CID 175210493) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
PubChem CID175210493
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCCN1CCCC1c1nccc(Nc2ccc(-c3cn[nH]c3)cc2)n1
InChIInChI=1S/C19H22N6/c1-2-25-11-3-4-17(25)19-20-10-9-18(24-19)23-16-7-5-14(6-8-16)15-12-21-22-13-15/h5-10,12-13,17H,2-4,11H2,1H3,(H,21,22)(H,20,23,24)
InChIKeyUENCHSVBCWCMJG-UHFFFAOYSA-N
XLogP3.77
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine (CID 175210493) is 2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine is CCN1CCCC1c1nccc(Nc2ccc(-c3cn[nH]c3)cc2)n1.
What is the InChIKey of 2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine?
The InChIKey is UENCHSVBCWCMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-25-11-3-4-17(25)19-20-10-9-18(24-19)23-16-7-5-14(6-8-16)15-12-21-22-13-15/h5-10,12-13,17H,2-4,11H2,1H3,(H,21,22)(H,20,23,24).
What are the key properties of 2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine?
2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-2-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 175210493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).