3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide

C9H14N4O — CID 131020900

IUPAC3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide
SMILESCc1cnc(NCCC(N)=O)nc1C
InChIInChI=1S/C9H14N4O/c1-6-5-12-9(13-7(6)2)11-4-3-8(10)14/h5H,3-4H2,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeyFNAKRUXHLBSVLL-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.38
Rot. Bonds4

About 3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide

3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide (PubChem CID 131020900) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide
PubChem CID131020900
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide
SMILESCc1cnc(NCCC(N)=O)nc1C
InChIInChI=1S/C9H14N4O/c1-6-5-12-9(13-7(6)2)11-4-3-8(10)14/h5H,3-4H2,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeyFNAKRUXHLBSVLL-UHFFFAOYSA-N
XLogP0.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide?
The IUPAC name of 3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide (CID 131020900) is 3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide?
The canonical SMILES for 3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide is Cc1cnc(NCCC(N)=O)nc1C.
What is the InChIKey of 3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide?
The InChIKey is FNAKRUXHLBSVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-5-12-9(13-7(6)2)11-4-3-8(10)14/h5H,3-4H2,1-2H3,(H2,10,14)(H,11,12,13).
What are the key properties of 3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide?
3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide has a molecular weight of 194.24 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide is sourced from PubChem (CID 131020900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).