5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine

C12H18BrN3 — CID 66339947

IUPAC5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
SMILESCC1CC(C)CC(Nc2ncncc2Br)C1
InChIInChI=1S/C12H18BrN3/c1-8-3-9(2)5-10(4-8)16-12-11(13)6-14-7-15-12/h6-10H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyNYFKUPQEZLMWOT-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.48
Rot. Bonds2

About 5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine

5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine (PubChem CID 66339947) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
PubChem CID66339947
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
SMILESCC1CC(C)CC(Nc2ncncc2Br)C1
InChIInChI=1S/C12H18BrN3/c1-8-3-9(2)5-10(4-8)16-12-11(13)6-14-7-15-12/h6-10H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyNYFKUPQEZLMWOT-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 105369616
N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine
CID 107587637
5-bromo-N-(2-methylthiolan-3-yl)pyrimidin-4-amine
CID 130710649
4-N-(3,5-dimethylcyclohexyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80840621
N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine
CID 130934708
N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine
CID 66340376
5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 65417799
N-(3,5-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80915420
5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 105369162
3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine
CID 104506924
5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671858
5-bromo-4-[(3,5-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956825

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine (CID 66339947) is 5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine is CC1CC(C)CC(Nc2ncncc2Br)C1.
What is the InChIKey of 5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine?
The InChIKey is NYFKUPQEZLMWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-8-3-9(2)5-10(4-8)16-12-11(13)6-14-7-15-12/h6-10H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine?
5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 66339947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).