6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine

C11H18N4 — CID 126593222

IUPAC6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine
SMILESC=CC(C)C(C)C1=C(N)C(=C)NC(N)=N1
InChIInChI=1S/C11H18N4/c1-5-6(2)7(3)10-9(12)8(4)14-11(13)15-10/h5-7H,1,4,12H2,2-3H3,(H3,13,14,15)
InChIKeyJGTPXHVUFVDIQS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.05
Rot. Bonds3

About 6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine

6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine (PubChem CID 126593222) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine.

Molecular Properties

Compound Name6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine
PubChem CID126593222
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine
SMILESC=CC(C)C(C)C1=C(N)C(=C)NC(N)=N1
InChIInChI=1S/C11H18N4/c1-5-6(2)7(3)10-9(12)8(4)14-11(13)15-10/h5-7H,1,4,12H2,2-3H3,(H3,13,14,15)
InChIKeyJGTPXHVUFVDIQS-UHFFFAOYSA-N
XLogP1.05
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-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 6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine?
The IUPAC name of 6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine (CID 126593222) is 6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine.
What is the SMILES notation for 6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine?
The canonical SMILES for 6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine is C=CC(C)C(C)C1=C(N)C(=C)NC(N)=N1.
What is the InChIKey of 6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine?
The InChIKey is JGTPXHVUFVDIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-5-6(2)7(3)10-9(12)8(4)14-11(13)15-10/h5-7H,1,4,12H2,2-3H3,(H3,13,14,15).
What are the key properties of 6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine?
6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4-(3-methylpent-4-en-2-yl)-1H-pyrimidine-2,5-diamine is sourced from PubChem (CID 126593222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).