N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C13H20N4O — CID 109297273

IUPACN-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C13H20N4O/c1-3-10(2)15-12(18)11-6-7-14-13(16-11)17-8-4-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,18)
InChIKeyMZFQJSVWIGYAKP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds4

About N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109297273) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID109297273
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C13H20N4O/c1-3-10(2)15-12(18)11-6-7-14-13(16-11)17-8-4-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,18)
InChIKeyMZFQJSVWIGYAKP-UHFFFAOYSA-N
XLogP1.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
(2S)-2-[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 119942730
N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297335
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297333
N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297331
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819
N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109295388
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109302377
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295385

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 109297273) is N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1ccnc(N2CCCC2)n1.
What is the InChIKey of N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is MZFQJSVWIGYAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-10(2)15-12(18)11-6-7-14-13(16-11)17-8-4-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109297273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).