5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one

C7H10N4O — CID 134415961

IUPAC5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one
SMILESC=CNc1nc(=O)[nH]c(C)c1N
InChIInChI=1S/C7H10N4O/c1-3-9-6-5(8)4(2)10-7(12)11-6/h3H,1,8H2,2H3,(H2,9,10,11,12)
InChIKeyDFWPYOJBKLYZBI-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.22
Rot. Bonds2

About 5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one

5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one (PubChem CID 134415961) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one
PubChem CID134415961
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one
SMILESC=CNc1nc(=O)[nH]c(C)c1N
InChIInChI=1S/C7H10N4O/c1-3-9-6-5(8)4(2)10-7(12)11-6/h3H,1,8H2,2H3,(H2,9,10,11,12)
InChIKeyDFWPYOJBKLYZBI-UHFFFAOYSA-N
XLogP0.22
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one (CID 134415961) is 5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one is C=CNc1nc(=O)[nH]c(C)c1N.
What is the InChIKey of 5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is DFWPYOJBKLYZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-3-9-6-5(8)4(2)10-7(12)11-6/h3H,1,8H2,2H3,(H2,9,10,11,12).
What are the key properties of 5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one?
5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 166.18 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(ethenylamino)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 134415961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).