5-amino-1-propan-2-ylpyrimidin-4-one

C7H11N3O — CID 115114463

IUPAC5-amino-1-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1cnc(=O)c(N)c1
InChIInChI=1S/C7H11N3O/c1-5(2)10-3-6(8)7(11)9-4-10/h3-5H,8H2,1-2H3
InChIKeyPEIKNFNQYXYVBY-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.41
Rot. Bonds1

About 5-amino-1-propan-2-ylpyrimidin-4-one

5-amino-1-propan-2-ylpyrimidin-4-one (PubChem CID 115114463) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-amino-1-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-propan-2-ylpyrimidin-4-one
PubChem CID115114463
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name5-amino-1-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1cnc(=O)c(N)c1
InChIInChI=1S/C7H11N3O/c1-5(2)10-3-6(8)7(11)9-4-10/h3-5H,8H2,1-2H3
InChIKeyPEIKNFNQYXYVBY-UHFFFAOYSA-N
XLogP0.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-3,4-dihydropyrimidin-4-one
CID 12455727
5-Amino-3-methyl-3,4-dihydropyrimidin-4-one
CID 70594970
2,5-Diamino-3-methylpyrimidin-4-one
CID 55284216
3,3-Dimethylimidazol-3-ium-4-carboxamide
CID 87517663
1-Methylimidazol-1-ium-1,4-dicarboxamide
CID 91442529
1,1-Dimethylimidazol-1-ium-4-carboxamide
CID 118591323
5-(methylamino)-1H-pyrimidin-6-one
CID 118680579
5-Amino-3-ethyl-3,4-dihydropyrimidin-4-one hydrochloride
CID 121553549
5-Amino-3-ethyl-3,4-dihydropyrimidin-4-one
CID 121553550
2-Amino-1-propan-2-ylpyrimidin-4-one
CID 132184399
5-Amino-3-propylpyrimidin-4-one;hydrochloride
CID 138585613
5-Amino-3-propylpyrimidin-4-one
CID 138585614

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-amino-1-propan-2-ylpyrimidin-4-one (CID 115114463) is 5-amino-1-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-amino-1-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-amino-1-propan-2-ylpyrimidin-4-one is CC(C)n1cnc(=O)c(N)c1.
What is the InChIKey of 5-amino-1-propan-2-ylpyrimidin-4-one?
The InChIKey is PEIKNFNQYXYVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(2)10-3-6(8)7(11)9-4-10/h3-5H,8H2,1-2H3.
What are the key properties of 5-amino-1-propan-2-ylpyrimidin-4-one?
5-amino-1-propan-2-ylpyrimidin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 115114463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).