6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine

C18H17BrN4O — CID 112866380

IUPAC6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(C)cc1Nc1cc(Nc2ccccc2Br)ncn1
InChIInChI=1S/C18H17BrN4O/c1-12-7-8-16(24-2)15(9-12)23-18-10-17(20-11-21-18)22-14-6-4-3-5-13(14)19/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyCHJDRIDXVUOPRG-UHFFFAOYSA-N
MW385.27 g/mol
LogP5.04
Rot. Bonds5

About 6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine

6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112866380) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is 6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112866380
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(C)cc1Nc1cc(Nc2ccccc2Br)ncn1
InChIInChI=1S/C18H17BrN4O/c1-12-7-8-16(24-2)15(9-12)23-18-10-17(20-11-21-18)22-14-6-4-3-5-13(14)19/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyCHJDRIDXVUOPRG-UHFFFAOYSA-N
XLogP5.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.27
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865199
6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23480397
4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112864909
4-N-tert-butyl-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112863804
4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860302
4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866363
N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109357298
6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858658
4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112860016
6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865751
6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
CID 112865076

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine (CID 112866380) is 6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine is COc1ccc(C)cc1Nc1cc(Nc2ccccc2Br)ncn1.
What is the InChIKey of 6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is CHJDRIDXVUOPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c1-12-7-8-16(24-2)15(9-12)23-18-10-17(20-11-21-18)22-14-6-4-3-5-13(14)19/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine?
6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 385.27 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112866380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).