5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one

C7H10N4O — CID 146367003

IUPAC5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one
SMILESC=CN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C7H10N4O/c1-3-11(2)6-5(8)7(12)10-4-9-6/h3-4H,1,8H2,2H3,(H,9,10,12)
InChIKeyXGAORKRFBMZKFU-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.07
Rot. Bonds2

About 5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one

5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 146367003) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID146367003
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one
SMILESC=CN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C7H10N4O/c1-3-11(2)6-5(8)7(12)10-4-9-6/h3-4H,1,8H2,2H3,(H,9,10,12)
InChIKeyXGAORKRFBMZKFU-UHFFFAOYSA-N
XLogP-0.07
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one (CID 146367003) is 5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one is C=CN(C)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is XGAORKRFBMZKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-3-11(2)6-5(8)7(12)10-4-9-6/h3-4H,1,8H2,2H3,(H,9,10,12).
What are the key properties of 5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 166.18 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[ethenyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 146367003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).