4-amino-1-methylpyrimidin-2-one;propane

C8H15N3O — CID 143278150

IUPAC4-amino-1-methylpyrimidin-2-one;propane
SMILESCCC.Cn1ccc(N)nc1=O
InChIInChI=1S/C5H7N3O.C3H8/c1-8-3-2-4(6)7-5(8)9;1-3-2/h2-3H,1H3,(H2,6,7,9);3H2,1-2H3
InChIKeyCJMWIEXVFGQICA-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.78
Rot. Bonds

About 4-amino-1-methylpyrimidin-2-one;propane

4-amino-1-methylpyrimidin-2-one;propane (PubChem CID 143278150) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-amino-1-methylpyrimidin-2-one;propane.

Molecular Properties

Compound Name4-amino-1-methylpyrimidin-2-one;propane
PubChem CID143278150
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-amino-1-methylpyrimidin-2-one;propane
SMILESCCC.Cn1ccc(N)nc1=O
InChIInChI=1S/C5H7N3O.C3H8/c1-8-3-2-4(6)7-5(8)9;1-3-2/h2-3H,1H3,(H2,6,7,9);3H2,1-2H3
InChIKeyCJMWIEXVFGQICA-UHFFFAOYSA-N
XLogP0.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methylpyrimidin-2-one;hydrobromide
CID 91983314
4-amino-1-(3-methylpentan-3-yl)pyrimidin-2-one
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(4-amino-2-oxopyrimidin-1-yl)-butyl-dimethylazanium
CID 123671048
4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid
CID 143708484
1-acetyl-4-aminopyrimidin-2-one;methane
CID 174689479
4-amino-1-prop-1-en-2-ylpyrimidin-2-one
CID 145434228
4-amino-1-tridecan-6-ylpyrimidin-2-one
CID 135183581
4-amino-1-[di(propan-2-yl)amino]pyrimidin-2-one
CID 167149217
4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one
CID 69107893
4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
CID 59223220
4-amino-1-[(2R,5R)-3-amino-5-ethyl-2,5-dihydrofuran-2-yl]pyrimidin-2-one
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2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrimidin-2-one;propane?
The IUPAC name of 4-amino-1-methylpyrimidin-2-one;propane (CID 143278150) is 4-amino-1-methylpyrimidin-2-one;propane.
What is the SMILES notation for 4-amino-1-methylpyrimidin-2-one;propane?
The canonical SMILES for 4-amino-1-methylpyrimidin-2-one;propane is CCC.Cn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-methylpyrimidin-2-one;propane?
The InChIKey is CJMWIEXVFGQICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C3H8/c1-8-3-2-4(6)7-5(8)9;1-3-2/h2-3H,1H3,(H2,6,7,9);3H2,1-2H3.
What are the key properties of 4-amino-1-methylpyrimidin-2-one;propane?
4-amino-1-methylpyrimidin-2-one;propane has a molecular weight of 169.23 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrimidin-2-one;propane is sourced from PubChem (CID 143278150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).