6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one

C10H17N3O2 — CID 59073654

IUPAC6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
SMILESCCCOCCn1c(C)nc(N)cc1=O
InChIInChI=1S/C10H17N3O2/c1-3-5-15-6-4-13-8(2)12-9(11)7-10(13)14/h7H,3-6,11H2,1-2H3
InChIKeyZQUZGCWQGYTIED-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.56
Rot. Bonds5

About 6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one

6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one (PubChem CID 59073654) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
PubChem CID59073654
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
SMILESCCCOCCn1c(C)nc(N)cc1=O
InChIInChI=1S/C10H17N3O2/c1-3-5-15-6-4-13-8(2)12-9(11)7-10(13)14/h7H,3-6,11H2,1-2H3
InChIKeyZQUZGCWQGYTIED-UHFFFAOYSA-N
XLogP0.56
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.56
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

6-chloro-2-methyl-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 114581731
3-decyl-2,6-dimethylpyrimidin-4-one
CID 175080397
3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
2-methyl-6-(2-propoxyethoxy)pyrimidin-4-amine
CID 80876486
6-(2-propoxyethyl)benzo[d][2]benzazepine-5,7-dione
CID 58822025
3,5-diethyl-1-(2-propoxyethyl)pyrazole
CID 106458013
3-(2-butoxyethyl)-6-chloro-2-propan-2-ylpyrimidin-4-one
CID 114584828
2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499134
6-chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455819
6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
CID 114581850
2-amino-6-(cyclopropylamino)-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525154
1-(2-propoxyethyl)-3-propyl-7H-purine-2,6-dione
CID 15390822

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one?
The IUPAC name of 6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one (CID 59073654) is 6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one?
The canonical SMILES for 6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one is CCCOCCn1c(C)nc(N)cc1=O.
What is the InChIKey of 6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one?
The InChIKey is ZQUZGCWQGYTIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-15-6-4-13-8(2)12-9(11)7-10(13)14/h7H,3-6,11H2,1-2H3.
What are the key properties of 6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one?
6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one has a molecular weight of 211.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 59073654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).