2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine

C17H14BrClN4 — CID 112891979

IUPAC2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
SMILESClc1ccc(CNc2ccnc(Nc3ccccc3Br)n2)cc1
InChIInChI=1S/C17H14BrClN4/c18-14-3-1-2-4-15(14)22-17-20-10-9-16(23-17)21-11-12-5-7-13(19)8-6-12/h1-10H,11H2,(H2,20,21,22,23)
InChIKeyIFQGPYMYHGEBMC-UHFFFAOYSA-N
MW389.68 g/mol
LogP5.25
Rot. Bonds5

About 2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine

2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112891979) has the molecular formula C17H14BrClN4 and a molecular weight of 389.68 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112891979
Molecular FormulaC17H14BrClN4
Molecular Weight389.68 g/mol
Exact Mass388.01
IUPAC Name2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
SMILESClc1ccc(CNc2ccnc(Nc3ccccc3Br)n2)cc1
InChIInChI=1S/C17H14BrClN4/c18-14-3-1-2-4-15(14)22-17-20-10-9-16(23-17)21-11-12-5-7-13(19)8-6-12/h1-10H,11H2,(H2,20,21,22,23)
InChIKeyIFQGPYMYHGEBMC-UHFFFAOYSA-N
XLogP5.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.68
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine
CID 112889532
3-N-(2-bromophenyl)-5-N-[(4-chlorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950573
4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80766149
2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
CID 112892101
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885809
2-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892448
2-N-(2-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 112904141
4-N-[(4-chlorophenyl)methyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112891930
4-N-[(4-chlorophenyl)methyl]-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112891882
2-N-(2-bromo-4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893787
2-N-(5-chloro-2-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893742
2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901822

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine (CID 112891979) is 2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine is Clc1ccc(CNc2ccnc(Nc3ccccc3Br)n2)cc1.
What is the InChIKey of 2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is IFQGPYMYHGEBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN4/c18-14-3-1-2-4-15(14)22-17-20-10-9-16(23-17)21-11-12-5-7-13(19)8-6-12/h1-10H,11H2,(H2,20,21,22,23).
What are the key properties of 2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine?
2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 389.68 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112891979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).