4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine

C15H18N4 — CID 80788844

IUPAC4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCC2Cc3ccccc32)n1
InChIInChI=1S/C15H18N4/c1-10-7-14(19-15(16-2)18-10)17-9-12-8-11-5-3-4-6-13(11)12/h3-7,12H,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyCKUUVOOCMJCYPQ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.58
Rot. Bonds4

About 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 80788844) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID80788844
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCC2Cc3ccccc32)n1
InChIInChI=1S/C15H18N4/c1-10-7-14(19-15(16-2)18-10)17-9-12-8-11-5-3-4-6-13(11)12/h3-7,12H,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyCKUUVOOCMJCYPQ-UHFFFAOYSA-N
XLogP2.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-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

Related Compounds

2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-6-methylpyridine-4-carbothioamide
CID 114767786
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80788757
2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812413
2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine
CID 83266351
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81036140
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine
CID 61234216
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 99805928
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 66419497
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine
CID 106575953
4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-methylpyridin-2-amine
CID 79717972

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine (CID 80788844) is 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(NCC2Cc3ccccc32)n1.
What is the InChIKey of 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is CKUUVOOCMJCYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-7-14(19-15(16-2)18-10)17-9-12-8-11-5-3-4-6-13(11)12/h3-7,12H,8-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80788844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).