5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine

C13H15BrN4 — CID 114072528

IUPAC5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCc1ccccc1CCNc1ncnc(N)c1Br
InChIInChI=1S/C13H15BrN4/c1-9-4-2-3-5-10(9)6-7-16-13-11(14)12(15)17-8-18-13/h2-5,8H,6-7H2,1H3,(H3,15,16,17,18)
InChIKeyWCBHSQBTCUGAPB-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.78
Rot. Bonds4

About 5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine

5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 114072528) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID114072528
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCc1ccccc1CCNc1ncnc(N)c1Br
InChIInChI=1S/C13H15BrN4/c1-9-4-2-3-5-10(9)6-7-16-13-11(14)12(15)17-8-18-13/h2-5,8H,6-7H2,1H3,(H3,15,16,17,18)
InChIKeyWCBHSQBTCUGAPB-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-5-methyl-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 80930265
5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424292
3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 113413714
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 105369517
5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 106262742
4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 114072011
3-bromo-4-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 104508079
4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 79756018
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696
5-amino-6-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468756
4-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carboxylic acid
CID 115148987

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine (CID 114072528) is 5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine is Cc1ccccc1CCNc1ncnc(N)c1Br.
What is the InChIKey of 5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is WCBHSQBTCUGAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-9-4-2-3-5-10(9)6-7-16-13-11(14)12(15)17-8-18-13/h2-5,8H,6-7H2,1H3,(H3,15,16,17,18).
What are the key properties of 5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 307.19 g/mol, XLogP of 2.78, 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-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114072528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).