6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine

C12H12BrClN4 — CID 116795747

IUPAC6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12BrClN4/c13-10-7-11(15)18-12(17-10)16-6-5-8-1-3-9(14)4-2-8/h1-4,7H,5-6H2,(H3,15,16,17,18)
InChIKeySARSUPKZGOQXFA-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.13
Rot. Bonds4

About 6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine

6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 116795747) has the molecular formula C12H12BrClN4 and a molecular weight of 327.61 g/mol. Its IUPAC name is 6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID116795747
Molecular FormulaC12H12BrClN4
Molecular Weight327.61 g/mol
Exact Mass325.99
IUPAC Name6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12BrClN4/c13-10-7-11(15)18-12(17-10)16-6-5-8-1-3-9(14)4-2-8/h1-4,7H,5-6H2,(H3,15,16,17,18)
InChIKeySARSUPKZGOQXFA-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-2-N-[2-(4-chlorophenyl)ethyl]-9-ethylpurine-2,6-diamine
CID 69336392
5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine
CID 61380799
4-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80776690
4-N-(4-chlorophenyl)-2-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922682
4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine
CID 61380702
6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine
CID 79826434
6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine
CID 116797411
6-bromo-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 116795802
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(1S)-1-phenylpropyl]-1,3,5-triazine-2,4,6-triamine
CID 69021028
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952800
6-bromo-2-N-(1H-pyrazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116795604
1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol
CID 116795491

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine (CID 116795747) is 6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine is Nc1cc(Br)nc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is SARSUPKZGOQXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4/c13-10-7-11(15)18-12(17-10)16-6-5-8-1-3-9(14)4-2-8/h1-4,7H,5-6H2,(H3,15,16,17,18).
What are the key properties of 6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine?
6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 327.61 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 116795747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).