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

C13H21BrN4 — CID 116795981

IUPAC6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
SMILESCC1CCC(CCNc2nc(N)cc(Br)n2)CC1
InChIInChI=1S/C13H21BrN4/c1-9-2-4-10(5-3-9)6-7-16-13-17-11(14)8-12(15)18-13/h8-10H,2-7H2,1H3,(H3,15,16,17,18)
InChIKeyBFEMEYOCSDGZEF-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.45
Rot. Bonds4

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

6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 116795981) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
PubChem CID116795981
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
SMILESCC1CCC(CCNc2nc(N)cc(Br)n2)CC1
InChIInChI=1S/C13H21BrN4/c1-9-2-4-10(5-3-9)6-7-16-13-17-11(14)8-12(15)18-13/h8-10H,2-7H2,1H3,(H3,15,16,17,18)
InChIKeyBFEMEYOCSDGZEF-UHFFFAOYSA-N
XLogP3.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 116797357
6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine
CID 116797411
6-bromo-2-N-(2-cyclopentyloxyethyl)pyrimidine-2,4-diamine
CID 116795940
6-bromo-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 116795913
4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
CID 116796030
6-bromo-2-N-but-2-ynylpyrimidine-2,4-diamine
CID 116797359
4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine
CID 106750865
5-bromo-6-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyridin-2-amine
CID 114046569
6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116795396
1-[(4-amino-6-bromopyrimidin-2-yl)amino]propan-2-ol
CID 116795491
6-bromo-2-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796124
5-[[(4-amino-6-bromopyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 116796036

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine (CID 116795981) is 6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine is CC1CCC(CCNc2nc(N)cc(Br)n2)CC1.
What is the InChIKey of 6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is BFEMEYOCSDGZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-9-2-4-10(5-3-9)6-7-16-13-17-11(14)8-12(15)18-13/h8-10H,2-7H2,1H3,(H3,15,16,17,18).
What are the key properties of 6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine?
6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 313.24 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 116795981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).