N-(pyrimidin-2-ylmethyl)butanamide

C9H13N3O — CID 89425553

IUPACN-(pyrimidin-2-ylmethyl)butanamide
SMILESCCCC(=O)NCc1ncccn1
InChIInChI=1S/C9H13N3O/c1-2-4-9(13)12-7-8-10-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3,(H,12,13)
InChIKeyRVGFALJVRHWWGL-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.89
Rot. Bonds4

About N-(pyrimidin-2-ylmethyl)butanamide

N-(pyrimidin-2-ylmethyl)butanamide (PubChem CID 89425553) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(pyrimidin-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(pyrimidin-2-ylmethyl)butanamide
PubChem CID89425553
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(pyrimidin-2-ylmethyl)butanamide
SMILESCCCC(=O)NCc1ncccn1
InChIInChI=1S/C9H13N3O/c1-2-4-9(13)12-7-8-10-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3,(H,12,13)
InChIKeyRVGFALJVRHWWGL-UHFFFAOYSA-N
XLogP0.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(pyrimidin-2-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-hydroxy-N-(pyrimidin-2-ylmethyl)propanamide
CID 130619252
N-[(3-methylquinoxalin-2-yl)methyl]butanamide
CID 110869650
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
N-[[4-[(Z)-N'-[(Z)-[amino(pyrimidin-2-yl)methylidene]amino]carbamimidoyl]phenyl]methyl]butanamide
CID 144632274
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[[3-[(butanoylamino)methyl]-5-[(propanoylamino)methyl]phenyl]methyl]butanamide;ethane
CID 177147488
3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide
CID 146109129
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
N-(1,3-benzoxazol-6-ylmethyl)butanamide
CID 110784925

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-2-ylmethyl)butanamide?
The IUPAC name of N-(pyrimidin-2-ylmethyl)butanamide (CID 89425553) is N-(pyrimidin-2-ylmethyl)butanamide.
What is the SMILES notation for N-(pyrimidin-2-ylmethyl)butanamide?
The canonical SMILES for N-(pyrimidin-2-ylmethyl)butanamide is CCCC(=O)NCc1ncccn1.
What is the InChIKey of N-(pyrimidin-2-ylmethyl)butanamide?
The InChIKey is RVGFALJVRHWWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-4-9(13)12-7-8-10-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3,(H,12,13).
What are the key properties of N-(pyrimidin-2-ylmethyl)butanamide?
N-(pyrimidin-2-ylmethyl)butanamide has a molecular weight of 179.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-2-ylmethyl)butanamide is sourced from PubChem (CID 89425553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).