4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine

C17H14BrClN4 — CID 112860035

IUPAC4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine
SMILESClc1ccc(CNc2cc(Nc3cccc(Br)c3)ncn2)cc1
InChIInChI=1S/C17H14BrClN4/c18-13-2-1-3-15(8-13)23-17-9-16(21-11-22-17)20-10-12-4-6-14(19)7-5-12/h1-9,11H,10H2,(H2,20,21,22,23)
InChIKeyGXVDTSDDBDJFRJ-UHFFFAOYSA-N
MW389.68 g/mol
LogP5.25
Rot. Bonds5

About 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine

4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112860035) has the molecular formula C17H14BrClN4 and a molecular weight of 389.68 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112860035
Molecular FormulaC17H14BrClN4
Molecular Weight389.68 g/mol
Exact Mass388.01
IUPAC Name4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine
SMILESClc1ccc(CNc2cc(Nc3cccc(Br)c3)ncn2)cc1
InChIInChI=1S/C17H14BrClN4/c18-13-2-1-3-15(8-13)23-17-9-16(21-11-22-17)20-10-12-4-6-14(19)7-5-12/h1-9,11H,10H2,(H2,20,21,22,23)
InChIKeyGXVDTSDDBDJFRJ-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-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150563
4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859776
4-N-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860263
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
4-[[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112860045
N-[4-[[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860025
N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928582
6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112858876
4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
4-N-(3-bromophenyl)-6-N-[3-(prop-2-enylamino)phenyl]pyrimidine-4,6-diamine
CID 151427006
4-N-(3-bromophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856981
methyl 4-[[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112860028

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine (CID 112860035) is 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine is Clc1ccc(CNc2cc(Nc3cccc(Br)c3)ncn2)cc1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is GXVDTSDDBDJFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN4/c18-13-2-1-3-15(8-13)23-17-9-16(21-11-22-17)20-10-12-4-6-14(19)7-5-12/h1-9,11H,10H2,(H2,20,21,22,23).
What are the key properties of 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine?
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-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 4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112860035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).