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

C18H17BrN4 — CID 112894171

IUPAC4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESBrc1cccc(Nc2ccnc(NCCc3ccccc3)n2)c1
InChIInChI=1S/C18H17BrN4/c19-15-7-4-8-16(13-15)22-17-10-12-21-18(23-17)20-11-9-14-5-2-1-3-6-14/h1-8,10,12-13H,9,11H2,(H2,20,21,22,23)
InChIKeyZKMYTEMHPMQVIM-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.64
Rot. Bonds6

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

4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112894171) has the molecular formula C18H17BrN4 and a molecular weight of 369.27 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112894171
Molecular FormulaC18H17BrN4
Molecular Weight369.27 g/mol
Exact Mass368.06
IUPAC Name4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESBrc1cccc(Nc2ccnc(NCCc3ccccc3)n2)c1
InChIInChI=1S/C18H17BrN4/c19-15-7-4-8-16(13-15)22-17-10-12-21-18(23-17)20-11-9-14-5-2-1-3-6-14/h1-8,10,12-13H,9,11H2,(H2,20,21,22,23)
InChIKeyZKMYTEMHPMQVIM-UHFFFAOYSA-N
XLogP4.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-bromophenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899325
5-N-(3-bromophenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112953059
4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899388
2-N-(3-bromophenyl)-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895439
4-N-(3-bromophenyl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891612
4-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895526
2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112894129
4-N-(4-bromo-2-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899421
4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761889
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112901448
4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine
CID 112902818
4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899361

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 112894171) is 4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine is Brc1cccc(Nc2ccnc(NCCc3ccccc3)n2)c1.
What is the InChIKey of 4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is ZKMYTEMHPMQVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4/c19-15-7-4-8-16(13-15)22-17-10-12-21-18(23-17)20-11-9-14-5-2-1-3-6-14/h1-8,10,12-13H,9,11H2,(H2,20,21,22,23).
What are the key properties of 4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine?
4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 369.27 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112894171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).