1-methyl-2-methylidenepyrimidin-4-amine

C6H9N3 — CID 23542366

IUPAC1-methyl-2-methylidenepyrimidin-4-amine
SMILESC=C1N=C(N)C=CN1C
InChIInChI=1S/C6H9N3/c1-5-8-6(7)3-4-9(5)2/h3-4H,1H2,2H3,(H2,7,8)
InChIKeyYIJMRPSKPPEOLK-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.27
Rot. Bonds

About 1-methyl-2-methylidenepyrimidin-4-amine

1-methyl-2-methylidenepyrimidin-4-amine (PubChem CID 23542366) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-methyl-2-methylidenepyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-2-methylidenepyrimidin-4-amine
PubChem CID23542366
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-methyl-2-methylidenepyrimidin-4-amine
SMILESC=C1N=C(N)C=CN1C
InChIInChI=1S/C6H9N3/c1-5-8-6(7)3-4-9(5)2/h3-4H,1H2,2H3,(H2,7,8)
InChIKeyYIJMRPSKPPEOLK-UHFFFAOYSA-N
XLogP0.27
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidenepyrimidin-4-amine?
The IUPAC name of 1-methyl-2-methylidenepyrimidin-4-amine (CID 23542366) is 1-methyl-2-methylidenepyrimidin-4-amine.
What is the SMILES notation for 1-methyl-2-methylidenepyrimidin-4-amine?
The canonical SMILES for 1-methyl-2-methylidenepyrimidin-4-amine is C=C1N=C(N)C=CN1C.
What is the InChIKey of 1-methyl-2-methylidenepyrimidin-4-amine?
The InChIKey is YIJMRPSKPPEOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-8-6(7)3-4-9(5)2/h3-4H,1H2,2H3,(H2,7,8).
What are the key properties of 1-methyl-2-methylidenepyrimidin-4-amine?
1-methyl-2-methylidenepyrimidin-4-amine has a molecular weight of 123.16 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidenepyrimidin-4-amine is sourced from PubChem (CID 23542366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).