4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one

C10H17N3O — CID 139417097

IUPAC4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one
SMILESCCC(CC)n1cc(C)c(N)nc1=O
InChIInChI=1S/C10H17N3O/c1-4-8(5-2)13-6-7(3)9(11)12-10(13)14/h6,8H,4-5H2,1-3H3,(H2,11,12,14)
InChIKeyLOPGZXBOCAHMLQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.50
Rot. Bonds3

About 4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one

4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one (PubChem CID 139417097) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one
PubChem CID139417097
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one
SMILESCCC(CC)n1cc(C)c(N)nc1=O
InChIInChI=1S/C10H17N3O/c1-4-8(5-2)13-6-7(3)9(11)12-10(13)14/h6,8H,4-5H2,1-3H3,(H2,11,12,14)
InChIKeyLOPGZXBOCAHMLQ-UHFFFAOYSA-N
XLogP1.50
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-butan-2-yl-5-methylpyrimidin-2-one
CID 163974797
4-amino-1-ethyl-5-methylpyrimidin-2-one
CID 15218124
4-amino-1-[(1R,3S)-1,4-dihydroxy-3-methoxybutyl]-5-methylpyrimidin-2-one
CID 129301964
4-amino-1-[3-methoxy-1-(2-methoxyethoxy)-2-methylbutyl]-5-methylpyrimidin-2-one;ethane
CID 170739139
4-amino-5-methyl-1-(4-methylheptan-4-yl)pyrimidin-2-one
CID 170420190
[(2S,3R)-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-iodo-3-pentan-3-yloxypropyl] methyl hydrogen phosphate
CID 118521249
4-amino-5-fluoro-1-pentadecan-8-ylpyrimidin-2-one
CID 139519591
4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 164835462
4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one
CID 167120999
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one
CID 118067941
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one?
The IUPAC name of 4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one (CID 139417097) is 4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one.
What is the SMILES notation for 4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one?
The canonical SMILES for 4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one is CCC(CC)n1cc(C)c(N)nc1=O.
What is the InChIKey of 4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one?
The InChIKey is LOPGZXBOCAHMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-8(5-2)13-6-7(3)9(11)12-10(13)14/h6,8H,4-5H2,1-3H3,(H2,11,12,14).
What are the key properties of 4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one?
4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one is sourced from PubChem (CID 139417097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).