1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine

C9H13N3 — CID 155001988

IUPAC1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine
SMILESC=C(C)NC1=CC(=C)N(C)C=N1
InChIInChI=1S/C9H13N3/c1-7(2)11-9-5-8(3)12(4)6-10-9/h5-6,11H,1,3H2,2,4H3
InChIKeyRTTYQEJBSMCXGR-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.44
Rot. Bonds2

About 1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine

1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine (PubChem CID 155001988) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine
PubChem CID155001988
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine
SMILESC=C(C)NC1=CC(=C)N(C)C=N1
InChIInChI=1S/C9H13N3/c1-7(2)11-9-5-8(3)12(4)6-10-9/h5-6,11H,1,3H2,2,4H3
InChIKeyRTTYQEJBSMCXGR-UHFFFAOYSA-N
XLogP1.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine?
The IUPAC name of 1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine (CID 155001988) is 1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine is C=C(C)NC1=CC(=C)N(C)C=N1.
What is the InChIKey of 1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine?
The InChIKey is RTTYQEJBSMCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(2)11-9-5-8(3)12(4)6-10-9/h5-6,11H,1,3H2,2,4H3.
What are the key properties of 1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine?
1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine is sourced from PubChem (CID 155001988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).