4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine

C16H17N7 — CID 167814770

IUPAC4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESc1cnn(-c2cncc(-c3ccnc(NC4CCNC4)n3)c2)c1
InChIInChI=1S/C16H17N7/c1-4-20-23(7-1)14-8-12(9-18-11-14)15-3-6-19-16(22-15)21-13-2-5-17-10-13/h1,3-4,6-9,11,13,17H,2,5,10H2,(H,19,21,22)
InChIKeyFEUHZFIXUPGJOF-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.50
Rot. Bonds4

About 4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine

4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine (PubChem CID 167814770) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
PubChem CID167814770
Molecular FormulaC16H17N7
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC Name4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESc1cnn(-c2cncc(-c3ccnc(NC4CCNC4)n3)c2)c1
InChIInChI=1S/C16H17N7/c1-4-20-23(7-1)14-8-12(9-18-11-14)15-3-6-19-16(22-15)21-13-2-5-17-10-13/h1,3-4,6-9,11,13,17H,2,5,10H2,(H,19,21,22)
InChIKeyFEUHZFIXUPGJOF-UHFFFAOYSA-N
XLogP1.50
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1H-pyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine;hydrochloride
CID 153314143
N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine
CID 175699091
4-[2-(oxan-4-yl)pyrazol-3-yl]-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 166300698
[3-[2-[[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 176741120
4-(2-methylpyrazol-3-yl)-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 146989000
4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 54584009
4-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 167449964
1,1,1-trifluoro-2-[7-methoxy-3-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 167449985
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
3-(4-bromophenyl)-5-pyrazol-1-ylpyridine
CID 167770873
4-cyclopropyl-N-piperidin-3-ylpyrimidin-2-amine
CID 83836771
4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 71640268

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine (CID 167814770) is 4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine is c1cnn(-c2cncc(-c3ccnc(NC4CCNC4)n3)c2)c1.
What is the InChIKey of 4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
The InChIKey is FEUHZFIXUPGJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7/c1-4-20-23(7-1)14-8-12(9-18-11-14)15-3-6-19-16(22-15)21-13-2-5-17-10-13/h1,3-4,6-9,11,13,17H,2,5,10H2,(H,19,21,22).
What are the key properties of 4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine has a molecular weight of 307.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 167814770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).