N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide

C9H15N3O — CID 134570687

IUPACN-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide
SMILESCCC(=O)NCC1C=NC=NC1C
InChIInChI=1S/C9H15N3O/c1-3-9(13)11-5-8-4-10-6-12-7(8)2/h4,6-8H,3,5H2,1-2H3,(H,11,13)
InChIKeyYNDTUGDPCUUUJZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.63
Rot. Bonds3

About N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide

N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide (PubChem CID 134570687) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide
PubChem CID134570687
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide
SMILESCCC(=O)NCC1C=NC=NC1C
InChIInChI=1S/C9H15N3O/c1-3-9(13)11-5-8-4-10-6-12-7(8)2/h4,6-8H,3,5H2,1-2H3,(H,11,13)
InChIKeyYNDTUGDPCUUUJZ-UHFFFAOYSA-N
XLogP0.63
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide?
The IUPAC name of N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide (CID 134570687) is N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide.
What is the SMILES notation for N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide?
The canonical SMILES for N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide is CCC(=O)NCC1C=NC=NC1C.
What is the InChIKey of N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide?
The InChIKey is YNDTUGDPCUUUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-9(13)11-5-8-4-10-6-12-7(8)2/h4,6-8H,3,5H2,1-2H3,(H,11,13).
What are the key properties of N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide?
N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-4,5-dihydropyrimidin-5-yl)methyl]propanamide is sourced from PubChem (CID 134570687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).