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

C19H19BrN4 — CID 112899388

IUPAC4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESBrc1ccc(Nc2ccnc(NCCCc3ccccc3)n2)cc1
InChIInChI=1S/C19H19BrN4/c20-16-8-10-17(11-9-16)23-18-12-14-22-19(24-18)21-13-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-12,14H,4,7,13H2,(H2,21,22,23,24)
InChIKeyBAEVBFIUHJCRMB-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.03
Rot. Bonds7

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

4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112899388) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112899388
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESBrc1ccc(Nc2ccnc(NCCCc3ccccc3)n2)cc1
InChIInChI=1S/C19H19BrN4/c20-16-8-10-17(11-9-16)23-18-12-14-22-19(24-18)21-13-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-12,14H,4,7,13H2,(H2,21,22,23,24)
InChIKeyBAEVBFIUHJCRMB-UHFFFAOYSA-N
XLogP5.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899361
4-N-(4-bromo-2-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899421
4-N-(3-bromophenyl)-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112894171
ethyl 4-[[2-(3-phenylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112899426
4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899378
2-N-(3-bromophenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899325
2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112894129
4-N-(4-bromophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893614
4-N-(3-phenylpropyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899309
2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112899437
4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899390
2-N-butyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883119

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112899388) is 4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is Brc1ccc(Nc2ccnc(NCCCc3ccccc3)n2)cc1.
What is the InChIKey of 4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is BAEVBFIUHJCRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c20-16-8-10-17(11-9-16)23-18-12-14-22-19(24-18)21-13-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-12,14H,4,7,13H2,(H2,21,22,23,24).
What are the key properties of 4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 383.29 g/mol, XLogP of 5.03, 7 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-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).