5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one

C11H18N4O — CID 134344733

IUPAC5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one
SMILESC=CN(CC(C)C)c1ncn(C)c(=O)c1N
InChIInChI=1S/C11H18N4O/c1-5-15(6-8(2)3)10-9(12)11(16)14(4)7-13-10/h5,7-8H,1,6,12H2,2-4H3
InChIKeyQVNMOQUAEXBOAN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.97
Rot. Bonds4

About 5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one

5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one (PubChem CID 134344733) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one
PubChem CID134344733
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one
SMILESC=CN(CC(C)C)c1ncn(C)c(=O)c1N
InChIInChI=1S/C11H18N4O/c1-5-15(6-8(2)3)10-9(12)11(16)14(4)7-13-10/h5,7-8H,1,6,12H2,2-4H3
InChIKeyQVNMOQUAEXBOAN-UHFFFAOYSA-N
XLogP0.97
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.97
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(2-methylpropyl)amino]-3-methylpyrimidin-4-one?
The IUPAC name of 5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one (CID 134344733) is 5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one?
The canonical SMILES for 5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one is C=CN(CC(C)C)c1ncn(C)c(=O)c1N.
What is the InChIKey of 5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one?
The InChIKey is QVNMOQUAEXBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-5-15(6-8(2)3)10-9(12)11(16)14(4)7-13-10/h5,7-8H,1,6,12H2,2-4H3.
What are the key properties of 5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one?
5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one is sourced from PubChem (CID 134344733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).