2-methylidene-1-propan-2-yl-4-tritiopyrimidine

C8H12N2 — CID 58196187

IUPAC2-methylidene-1-propan-2-yl-4-tritiopyrimidine
SMILES[3H]C1=NC(=C)N(C(C)C)C=C1
InChIInChI=1S/C8H12N2/c1-7(2)10-6-4-5-9-8(10)3/h4-7H,3H2,1-2H3/i5T
InChIKeyYKSILXJWWGFRQD-XHHURNKPSA-N
MW138.21 g/mol
LogP1.77
Rot. Bonds1

About 2-methylidene-1-propan-2-yl-4-tritiopyrimidine

2-methylidene-1-propan-2-yl-4-tritiopyrimidine (PubChem CID 58196187) has the molecular formula C8H12N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-methylidene-1-propan-2-yl-4-tritiopyrimidine.

Molecular Properties

Compound Name2-methylidene-1-propan-2-yl-4-tritiopyrimidine
PubChem CID58196187
Molecular FormulaC8H12N2
Molecular Weight138.21 g/mol
Exact Mass138.11
IUPAC Name2-methylidene-1-propan-2-yl-4-tritiopyrimidine
SMILES[3H]C1=NC(=C)N(C(C)C)C=C1
InChIInChI=1S/C8H12N2/c1-7(2)10-6-4-5-9-8(10)3/h4-7H,3H2,1-2H3/i5T
InChIKeyYKSILXJWWGFRQD-XHHURNKPSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methylidene-1-propan-2-yl-4-tritiopyrimidine 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 2-methylidene-1-propan-2-yl-4-tritiopyrimidine?
The IUPAC name of 2-methylidene-1-propan-2-yl-4-tritiopyrimidine (CID 58196187) is 2-methylidene-1-propan-2-yl-4-tritiopyrimidine.
What is the SMILES notation for 2-methylidene-1-propan-2-yl-4-tritiopyrimidine?
The canonical SMILES for 2-methylidene-1-propan-2-yl-4-tritiopyrimidine is [3H]C1=NC(=C)N(C(C)C)C=C1.
What is the InChIKey of 2-methylidene-1-propan-2-yl-4-tritiopyrimidine?
The InChIKey is YKSILXJWWGFRQD-XHHURNKPSA-N. The full InChI is InChI=1S/C8H12N2/c1-7(2)10-6-4-5-9-8(10)3/h4-7H,3H2,1-2H3/i5T.
What are the key properties of 2-methylidene-1-propan-2-yl-4-tritiopyrimidine?
2-methylidene-1-propan-2-yl-4-tritiopyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-propan-2-yl-4-tritiopyrimidine is sourced from PubChem (CID 58196187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).