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

C15H19BrN4 — CID 106901022

IUPAC5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NCc2ccc(CC)cc2)n1
InChIInChI=1S/C15H19BrN4/c1-3-11-5-7-12(8-6-11)9-18-14-13(16)10-19-15(20-14)17-4-2/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyJMHMDIDAOYVXAI-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.85
Rot. Bonds6

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

5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 106901022) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID106901022
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NCc2ccc(CC)cc2)n1
InChIInChI=1S/C15H19BrN4/c1-3-11-5-7-12(8-6-11)9-18-14-13(16)10-19-15(20-14)17-4-2/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyJMHMDIDAOYVXAI-UHFFFAOYSA-N
XLogP3.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106900943
5-bromo-4-N-[(4-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80766330
5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80766356
5-bromo-2-N-ethyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80813021
5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 66301850
5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892
5-bromo-2-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80807441
5-bromo-4-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80836657
5-bromo-2-N-ethyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80769855
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80776985
5-bromo-2-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80829597
5-bromo-2-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80806527

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine (CID 106901022) is 5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(Br)c(NCc2ccc(CC)cc2)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is JMHMDIDAOYVXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-3-11-5-7-12(8-6-11)9-18-14-13(16)10-19-15(20-14)17-4-2/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 335.25 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106901022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).