5-methyl-2-methylidene-1H-pyrimidin-4-amine

C6H9N3 — CID 137232694

IUPAC5-methyl-2-methylidene-1H-pyrimidin-4-amine
SMILESC=C1N=C(N)C(C)=CN1
InChIInChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3,8H,2H2,1H3,(H2,7,9)
InChIKeyBQZVIMXOPNAMET-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.32
Rot. Bonds

About 5-methyl-2-methylidene-1H-pyrimidin-4-amine

5-methyl-2-methylidene-1H-pyrimidin-4-amine (PubChem CID 137232694) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-methyl-2-methylidene-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-methylidene-1H-pyrimidin-4-amine
PubChem CID137232694
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-methyl-2-methylidene-1H-pyrimidin-4-amine
SMILESC=C1N=C(N)C(C)=CN1
InChIInChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3,8H,2H2,1H3,(H2,7,9)
InChIKeyBQZVIMXOPNAMET-UHFFFAOYSA-N
XLogP0.32
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidene-1H-pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-methylidene-1H-pyrimidin-4-amine (CID 137232694) is 5-methyl-2-methylidene-1H-pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-methylidene-1H-pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-methylidene-1H-pyrimidin-4-amine is C=C1N=C(N)C(C)=CN1.
What is the InChIKey of 5-methyl-2-methylidene-1H-pyrimidin-4-amine?
The InChIKey is BQZVIMXOPNAMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3,8H,2H2,1H3,(H2,7,9).
What are the key properties of 5-methyl-2-methylidene-1H-pyrimidin-4-amine?
5-methyl-2-methylidene-1H-pyrimidin-4-amine has a molecular weight of 123.16 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-1H-pyrimidin-4-amine is sourced from PubChem (CID 137232694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).