5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one

C8H12N4O — CID 174336195

IUPAC5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one
SMILESC=CN(C)c1ncn(C)c(=O)c1N
InChIInChI=1S/C8H12N4O/c1-4-11(2)7-6(9)8(13)12(3)5-10-7/h4-5H,1,9H2,2-3H3
InChIKeyZLONEVSQOSTGHJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.06
Rot. Bonds2

About 5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one

5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one (PubChem CID 174336195) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one
PubChem CID174336195
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one
SMILESC=CN(C)c1ncn(C)c(=O)c1N
InChIInChI=1S/C8H12N4O/c1-4-11(2)7-6(9)8(13)12(3)5-10-7/h4-5H,1,9H2,2-3H3
InChIKeyZLONEVSQOSTGHJ-UHFFFAOYSA-N
XLogP-0.06
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one?
The IUPAC name of 5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one (CID 174336195) is 5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one?
The canonical SMILES for 5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one is C=CN(C)c1ncn(C)c(=O)c1N.
What is the InChIKey of 5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one?
The InChIKey is ZLONEVSQOSTGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-4-11(2)7-6(9)8(13)12(3)5-10-7/h4-5H,1,9H2,2-3H3.
What are the key properties of 5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one?
5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[ethenyl(methyl)amino]-3-methylpyrimidin-4-one is sourced from PubChem (CID 174336195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).