2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine

C17H15BrN4O — CID 112904556

IUPAC2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1ccnc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C17H15BrN4O/c1-23-15-8-3-2-7-14(15)21-16-9-10-19-17(22-16)20-13-6-4-5-12(18)11-13/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyKJJHJVGRNCHKFQ-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.73
Rot. Bonds5

About 2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine

2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112904556) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112904556
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1ccnc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C17H15BrN4O/c1-23-15-8-3-2-7-14(15)21-16-9-10-19-17(22-16)20-13-6-4-5-12(18)11-13/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyKJJHJVGRNCHKFQ-UHFFFAOYSA-N
XLogP4.73
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903448
4-N-(4-bromophenyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904434
4-N-(4-bromo-3-methylphenyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904604
4-N-(3-methoxyphenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904627
4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine
CID 112902818
2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904571
methyl 4-[[4-(2-methoxyanilino)pyrimidin-2-yl]amino]benzoate
CID 112904543
4-[[4-(2-methoxyanilino)pyrimidin-2-yl]amino]benzoic acid
CID 70702136
2-N-(3-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885810
4-N-(2-methoxyphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112904547
4-N-(2-methoxyphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112904554
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904305

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (CID 112904556) is 2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccccc1Nc1ccnc(Nc2cccc(Br)c2)n1.
What is the InChIKey of 2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is KJJHJVGRNCHKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c1-23-15-8-3-2-7-14(15)21-16-9-10-19-17(22-16)20-13-6-4-5-12(18)11-13/h2-11H,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 371.24 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112904556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).