N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide

C12H18N4O — CID 71789958

IUPACN-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
SMILESCCCC(=O)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C12H18N4O/c1-2-5-11(17)15-10-8-13-12(14-9-10)16-6-3-4-7-16/h8-9H,2-7H2,1H3,(H,15,17)
InChIKeyNLPJIKPXNSECAX-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.82
Rot. Bonds4

About N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide (PubChem CID 71789958) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
PubChem CID71789958
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
SMILESCCCC(=O)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C12H18N4O/c1-2-5-11(17)15-10-8-13-12(14-9-10)16-6-3-4-7-16/h8-9H,2-7H2,1H3,(H,15,17)
InChIKeyNLPJIKPXNSECAX-UHFFFAOYSA-N
XLogP1.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide
CID 122298424
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide
CID 122298326
N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
CID 91967761
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298244
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298207
2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 122298592
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164713

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide (CID 71789958) is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide is CCCC(=O)Nc1cnc(N2CCCC2)nc1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide?
The InChIKey is NLPJIKPXNSECAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-5-11(17)15-10-8-13-12(14-9-10)16-6-3-4-7-16/h8-9H,2-7H2,1H3,(H,15,17).
What are the key properties of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide?
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide has a molecular weight of 234.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide is sourced from PubChem (CID 71789958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).