2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C9H12N4O — CID 140686303

IUPAC2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C9H12N4O/c10-8(14)7-3-4-11-9(12-7)13-5-1-2-6-13/h3-4H,1-2,5-6H2,(H2,10,14)
InChIKeyYLAZDVGXLIHZCU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.18
Rot. Bonds2

About 2-pyrrolidin-1-ylpyrimidine-4-carboxamide

2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 140686303) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID140686303
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C9H12N4O/c10-8(14)7-3-4-11-9(12-7)13-5-1-2-6-13/h3-4H,1-2,5-6H2,(H2,10,14)
InChIKeyYLAZDVGXLIHZCU-UHFFFAOYSA-N
XLogP0.18
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)pyrimidine-4-carbothioamide
CID 107546180
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 173096124
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 123733519
2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 175877318
2-(azepan-1-yl)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109313208
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
(2S)-2-[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 119942730
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297509
N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 166186141

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 140686303) is 2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-pyrrolidin-1-ylpyrimidine-4-carboxamide is NC(=O)c1ccnc(N2CCCC2)n1.
What is the InChIKey of 2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is YLAZDVGXLIHZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-8(14)7-3-4-11-9(12-7)13-5-1-2-6-13/h3-4H,1-2,5-6H2,(H2,10,14).
What are the key properties of 2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 140686303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).