4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine

C11H18N4 — CID 134423640

IUPAC4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine
SMILESC=CN(C1=C(C)C(=C)NC(N)=N1)C(C)C
InChIInChI=1S/C11H18N4/c1-6-15(7(2)3)10-8(4)9(5)13-11(12)14-10/h6-7H,1,5H2,2-4H3,(H3,12,13,14)
InChIKeyAQZGRJGLFXTDFC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.50
Rot. Bonds3

About 4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine

4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine (PubChem CID 134423640) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine
PubChem CID134423640
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine
SMILESC=CN(C1=C(C)C(=C)NC(N)=N1)C(C)C
InChIInChI=1S/C11H18N4/c1-6-15(7(2)3)10-8(4)9(5)13-11(12)14-10/h6-7H,1,5H2,2-4H3,(H3,12,13,14)
InChIKeyAQZGRJGLFXTDFC-UHFFFAOYSA-N
XLogP1.50
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine (CID 134423640) is 4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine is C=CN(C1=C(C)C(=C)NC(N)=N1)C(C)C.
What is the InChIKey of 4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine?
The InChIKey is AQZGRJGLFXTDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-6-15(7(2)3)10-8(4)9(5)13-11(12)14-10/h6-7H,1,5H2,2-4H3,(H3,12,13,14).
What are the key properties of 4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine?
4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethenyl-5-methyl-6-methylidene-4-N-propan-2-yl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 134423640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).