5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine

C13H15BrN4 — CID 114072011

IUPAC5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2ccccc2C)c1Br
InChIInChI=1S/C13H15BrN4/c1-9-5-3-4-6-10(9)7-16-13-11(14)12(15-2)17-8-18-13/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyXTTQIPRBOCXWSB-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.20
Rot. Bonds4

About 5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine

5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 114072011) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID114072011
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCc2ccccc2C)c1Br
InChIInChI=1S/C13H15BrN4/c1-9-5-3-4-6-10(9)7-16-13-11(14)12(15-2)17-8-18-13/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyXTTQIPRBOCXWSB-UHFFFAOYSA-N
XLogP3.20
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-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

5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696
5-bromo-4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114072420
N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62833504
5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 114072528
4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine
CID 65336916
N-[(2-methylphenyl)methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 71456855
5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898973
N,5-dimethyl-6-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80889914
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methylpyridin-2-amine
CID 106876104
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
5-bromo-N,6-dimethylpyrimidin-4-amine
CID 56592979
5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106192856

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 114072011) is 5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine is CNc1ncnc(NCc2ccccc2C)c1Br.
What is the InChIKey of 5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is XTTQIPRBOCXWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-9-5-3-4-6-10(9)7-16-13-11(14)12(15-2)17-8-18-13/h3-6,8H,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine?
5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 307.20 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114072011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).