5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine

C13H15BrN4 — CID 106900943

IUPAC5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCc1ccc(CNc2nc(N)ncc2Br)cc1
InChIInChI=1S/C13H15BrN4/c1-2-9-3-5-10(6-4-9)7-16-12-11(14)8-17-13(15)18-12/h3-6,8H,2,7H2,1H3,(H3,15,16,17,18)
InChIKeyPUKSYIIZBAJWRB-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.00
Rot. Bonds4

About 5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine

5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 106900943) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID106900943
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCc1ccc(CNc2nc(N)ncc2Br)cc1
InChIInChI=1S/C13H15BrN4/c1-2-9-3-5-10(6-4-9)7-16-12-11(14)8-17-13(15)18-12/h3-6,8H,2,7H2,1H3,(H3,15,16,17,18)
InChIKeyPUKSYIIZBAJWRB-UHFFFAOYSA-N
XLogP3.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Msx-122
CID 11687907
5-Phenyl-2,4-pyrimidinediamine
CID 134761
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
5-((3-(Trifluoromethyl)phenyl)methyl)-2,4-pyrimidinediamine
CID 579834
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(4-Carbamimidoylphenyl)phenyl]pyrimidine-2-carboximidamide
CID 24752326
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
5-fluoro-N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine
CID 49857096
US9205085, Msx-193
CID 49857681
2,4-Diamino-5-benzylpyrimidine
CID 81752
5-(4-Bromophenyl)pyrimidine-2,4-diamine
CID 504037
2,5-Diphenylpyrimidine
CID 755305

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine (CID 106900943) is 5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine is CCc1ccc(CNc2nc(N)ncc2Br)cc1.
What is the InChIKey of 5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is PUKSYIIZBAJWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-2-9-3-5-10(6-4-9)7-16-12-11(14)8-17-13(15)18-12/h3-6,8H,2,7H2,1H3,(H3,15,16,17,18).
What are the key properties of 5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine?
5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 307.20 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106900943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).