4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one

C9H15N3O2 — CID 142901246

IUPAC4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one
SMILESCCCOCn1cc(C)c(N)nc1=O
InChIInChI=1S/C9H15N3O2/c1-3-4-14-6-12-5-7(2)8(10)11-9(12)13/h5H,3-4,6H2,1-2H3,(H2,10,11,13)
InChIKeyBNLLVKNTEBXEAC-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.52
Rot. Bonds4

About 4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one

4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one (PubChem CID 142901246) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one
PubChem CID142901246
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one
SMILESCCCOCn1cc(C)c(N)nc1=O
InChIInChI=1S/C9H15N3O2/c1-3-4-14-6-12-5-7(2)8(10)11-9(12)13/h5H,3-4,6H2,1-2H3,(H2,10,11,13)
InChIKeyBNLLVKNTEBXEAC-UHFFFAOYSA-N
XLogP0.52
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2(1H)-Pyrimidinone, 4-amino-1,5-dimethyl-
CID 140261
4-Amino-5-methyl-1-(tetrahydrofuran-2-yl)pyrimidin-2(1h)-one
CID 266963
4-Amino-1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidin-2-one
CID 14408841
1,5-Dimethyl-n4-methoxycytosine
CID 54503055
4-Amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one
CID 58166418
4-Amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
CID 71215793
4-Amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one
CID 130330204
4-Amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one
CID 130330273
4-Amino-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidin-2-one
CID 10584699
4-Amino-1-(2-methoxyethoxy)-5-methylpyrimidin-2-one
CID 22647864
4-Amino-1-(1-methoxyethyl)-5-methylpyrimidin-2-one
CID 68280605
Prop-2-enyl 4-amino-5-methyl-2-oxopyrimidine-1-carboxylate
CID 69533781

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one (CID 142901246) is 4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one is CCCOCn1cc(C)c(N)nc1=O.
What is the InChIKey of 4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one?
The InChIKey is BNLLVKNTEBXEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-14-6-12-5-7(2)8(10)11-9(12)13/h5H,3-4,6H2,1-2H3,(H2,10,11,13).
What are the key properties of 4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one?
4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one has a molecular weight of 197.24 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one is sourced from PubChem (CID 142901246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).