4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine

C11H15N5O — CID 158185991

IUPAC4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine
SMILESCc1cc(=O)[nH]cn1.Cc1cc(CN)ncn1
InChIInChI=1S/C6H9N3.C5H6N2O/c1-5-2-6(3-7)9-4-8-5;1-4-2-5(8)7-3-6-4/h2,4H,3,7H2,1H3;2-3H,1H3,(H,6,7,8)
InChIKeyFZDIGCWGTXVTOR-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.32
Rot. Bonds1

About 4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine

4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine (PubChem CID 158185991) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine
PubChem CID158185991
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine
SMILESCc1cc(=O)[nH]cn1.Cc1cc(CN)ncn1
InChIInChI=1S/C6H9N3.C5H6N2O/c1-5-2-6(3-7)9-4-8-5;1-4-2-5(8)7-3-6-4/h2,4H,3,7H2,1H3;2-3H,1H3,(H,6,7,8)
InChIKeyFZDIGCWGTXVTOR-UHFFFAOYSA-N
XLogP0.32
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine?
The IUPAC name of 4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine (CID 158185991) is 4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for 4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for 4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine is Cc1cc(=O)[nH]cn1.Cc1cc(CN)ncn1.
What is the InChIKey of 4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine?
The InChIKey is FZDIGCWGTXVTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.C5H6N2O/c1-5-2-6(3-7)9-4-8-5;1-4-2-5(8)7-3-6-4/h2,4H,3,7H2,1H3;2-3H,1H3,(H,6,7,8).
What are the key properties of 4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine?
4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine has a molecular weight of 233.27 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrimidin-6-one;(6-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 158185991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).