5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine

C13H20BrN3 — CID 63874176

IUPAC5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
SMILESCCCC1CCC(Nc2ncc(Br)cn2)CC1
InChIInChI=1S/C13H20BrN3/c1-2-3-10-4-6-12(7-5-10)17-13-15-8-11(14)9-16-13/h8-10,12H,2-7H2,1H3,(H,15,16,17)
InChIKeySCXYZCWUKRFAKF-UHFFFAOYSA-N
MW298.23 g/mol
LogP4.01
Rot. Bonds4

About 5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine

5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine (PubChem CID 63874176) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
PubChem CID63874176
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
SMILESCCCC1CCC(Nc2ncc(Br)cn2)CC1
InChIInChI=1S/C13H20BrN3/c1-2-3-10-4-6-12(7-5-10)17-13-15-8-11(14)9-16-13/h8-10,12H,2-7H2,1H3,(H,15,16,17)
InChIKeySCXYZCWUKRFAKF-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine
CID 54962936
5-bromo-2-N-(4-propylcyclohexyl)pyridine-2,3-diamine
CID 55185791
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815
5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine
CID 80808231
8-methyl-2-N-(4-propylcyclohexyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 167021876
4-bromo-2,6-dichloro-N-(4-propylcyclohexyl)aniline
CID 63425626
N-(4-propylcycloheptyl)pyrimidin-5-amine
CID 107588235
[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl] methanesulfonate
CID 90410961
5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671858
3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine
CID 104506588
3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine
CID 104776939
N-(4-propylcyclohexyl)quinoxalin-2-amine
CID 63541975

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine (CID 63874176) is 5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine is CCCC1CCC(Nc2ncc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine?
The InChIKey is SCXYZCWUKRFAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-2-3-10-4-6-12(7-5-10)17-13-15-8-11(14)9-16-13/h8-10,12H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine?
5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine has a molecular weight of 298.23 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 63874176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).