4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one

C11H13N5O2 — CID 136784674

IUPAC4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(N)nc(-c2cc(OC)ncn2)[nH]c1=O
InChIInChI=1S/C11H13N5O2/c1-3-6-9(12)15-10(16-11(6)17)7-4-8(18-2)14-5-13-7/h4-5H,3H2,1-2H3,(H3,12,15,16,17)
InChIKeyDTPMMEOGJRJKKV-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.38
Rot. Bonds3

About 4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one

4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136784674) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one
PubChem CID136784674
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(N)nc(-c2cc(OC)ncn2)[nH]c1=O
InChIInChI=1S/C11H13N5O2/c1-3-6-9(12)15-10(16-11(6)17)7-4-8(18-2)14-5-13-7/h4-5H,3H2,1-2H3,(H3,12,15,16,17)
InChIKeyDTPMMEOGJRJKKV-UHFFFAOYSA-N
XLogP0.38
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 136784693
4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
CID 136967413
2-(6-methoxypyrimidin-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136784742
2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-imidazol-4-ol
CID 136965589
4-amino-2-(3,4-dihydroxyphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136938581
2-(6-methoxypyrimidin-4-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477289
5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831799
5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine
CID 102952764
4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
CID 136831511
4-amino-5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 136780875
4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 136790340
2-ethoxy-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950788

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one (CID 136784674) is 4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one is CCc1c(N)nc(-c2cc(OC)ncn2)[nH]c1=O.
What is the InChIKey of 4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is DTPMMEOGJRJKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-6-9(12)15-10(16-11(6)17)7-4-8(18-2)14-5-13-7/h4-5H,3H2,1-2H3,(H3,12,15,16,17).
What are the key properties of 4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one?
4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 247.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136784674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).