N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide

C12H18N4O — CID 121137119

IUPACN-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1nccc(N2CCCC2)n1
InChIInChI=1S/C12H18N4O/c1-2-12(17)14-9-10-13-6-5-11(15-10)16-7-3-4-8-16/h5-6H,2-4,7-9H2,1H3,(H,14,17)
InChIKeyCDZFOEBAVDWTIL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.10
Rot. Bonds4

About N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide

N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide (PubChem CID 121137119) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
PubChem CID121137119
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1nccc(N2CCCC2)n1
InChIInChI=1S/C12H18N4O/c1-2-12(17)14-9-10-13-6-5-11(15-10)16-7-3-4-8-16/h5-6H,2-4,7-9H2,1H3,(H,14,17)
InChIKeyCDZFOEBAVDWTIL-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 72717995
2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318482
2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317423
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318529
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
2,2-diphenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 91966645
1-(4-tert-butylphenyl)-3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122317628
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
2,4-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91966531

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide?
The IUPAC name of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide (CID 121137119) is N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide is CCC(=O)NCc1nccc(N2CCCC2)n1.
What is the InChIKey of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide?
The InChIKey is CDZFOEBAVDWTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-12(17)14-9-10-13-6-5-11(15-10)16-7-3-4-8-16/h5-6H,2-4,7-9H2,1H3,(H,14,17).
What are the key properties of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide?
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide has a molecular weight of 234.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide is sourced from PubChem (CID 121137119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).