N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C13H20N4O — CID 109248819

IUPACN-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C13H20N4O/c1-3-10(2)16-12(18)11-8-14-13(15-9-11)17-6-4-5-7-17/h8-10H,3-7H2,1-2H3,(H,16,18)
InChIKeyVYLJXYCQTRMYPS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds4

About N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 109248819) 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-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID109248819
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C13H20N4O/c1-3-10(2)16-12(18)11-8-14-13(15-9-11)17-6-4-5-7-17/h8-10H,3-7H2,1-2H3,(H,16,18)
InChIKeyVYLJXYCQTRMYPS-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-propan-2-ylpyrimidine-5-carboxamide
CID 109246951
N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109246934
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 95097436
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225181
N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248625
N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249498
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250248

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 109248819) is N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(N2CCCC2)nc1.
What is the InChIKey of N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is VYLJXYCQTRMYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-10(2)16-12(18)11-8-14-13(15-9-11)17-6-4-5-7-17/h8-10H,3-7H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-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-5-carboxamide is sourced from PubChem (CID 109248819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).