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

C17H22N4 — CID 80986975

IUPAC4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCC2Cc3ccccc32)n1
InChIInChI=1S/C17H22N4/c1-3-6-15-20-16(18)11(2)17(21-15)19-10-13-9-12-7-4-5-8-14(12)13/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H3,18,19,20,21)
InChIKeyIUYWGDDRRXTBOY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.07
Rot. Bonds5

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

4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80986975) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80986975
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCC2Cc3ccccc32)n1
InChIInChI=1S/C17H22N4/c1-3-6-15-20-16(18)11(2)17(21-15)19-10-13-9-12-7-4-5-8-14(12)13/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H3,18,19,20,21)
InChIKeyIUYWGDDRRXTBOY-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80788757
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591
4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80981525
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)quinazoline-2,4-diamine
CID 80776084
4-N-(2,3-dihydro-1H-inden-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 107855462
4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80987278
5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine
CID 80981407
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278553
4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 106761086
5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103364090
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine (CID 80986975) is 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NCC2Cc3ccccc32)n1.
What is the InChIKey of 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is IUYWGDDRRXTBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-6-15-20-16(18)11(2)17(21-15)19-10-13-9-12-7-4-5-8-14(12)13/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.07, 5 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)-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).