4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine

C18H17BrN4 — CID 112890739

IUPAC4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(Nc2ccc(Br)cc2)n1)c1ccccc1
InChIInChI=1S/C18H17BrN4/c1-13(14-5-3-2-4-6-14)21-18-20-12-11-17(23-18)22-16-9-7-15(19)8-10-16/h2-13H,1H3,(H2,20,21,22,23)
InChIKeySTSJMPDXCCJCQY-UHFFFAOYSA-N
MW369.27 g/mol
LogP5.16
Rot. Bonds5

About 4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine

4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112890739) has the molecular formula C18H17BrN4 and a molecular weight of 369.27 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112890739
Molecular FormulaC18H17BrN4
Molecular Weight369.27 g/mol
Exact Mass368.06
IUPAC Name4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(Nc2ccc(Br)cc2)n1)c1ccccc1
InChIInChI=1S/C18H17BrN4/c1-13(14-5-3-2-4-6-14)21-18-20-12-11-17(23-18)22-16-9-7-15(19)8-10-16/h2-13H,1H3,(H2,20,21,22,23)
InChIKeySTSJMPDXCCJCQY-UHFFFAOYSA-N
XLogP5.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.27
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromophenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916834
2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890568
6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872117
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890680
4-N-(4-bromophenyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904434
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890634
4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899388
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991
4-N-[(2-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890674
4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 134138490

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine (CID 112890739) is 4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine is CC(Nc1nccc(Nc2ccc(Br)cc2)n1)c1ccccc1.
What is the InChIKey of 4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is STSJMPDXCCJCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4/c1-13(14-5-3-2-4-6-14)21-18-20-12-11-17(23-18)22-16-9-7-15(19)8-10-16/h2-13H,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 369.27 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112890739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).