5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine

C12H18BrN3 — CID 95972202

IUPAC5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine
SMILESC[C@@H]1CCC[C@@H](C)C1Nc1ncc(Br)cn1
InChIInChI=1S/C12H18BrN3/c1-8-4-3-5-9(2)11(8)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5H2,1-2H3,(H,14,15,16)/t8-,9-/m1/s1
InChIKeyKPUWPCWZWSOTLF-RKDXNWHRSA-N
MW284.20 g/mol
LogP3.48
Rot. Bonds2

About 5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine

5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine (PubChem CID 95972202) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine
PubChem CID95972202
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine
SMILESC[C@@H]1CCC[C@@H](C)C1Nc1ncc(Br)cn1
InChIInChI=1S/C12H18BrN3/c1-8-4-3-5-9(2)11(8)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5H2,1-2H3,(H,14,15,16)/t8-,9-/m1/s1
InChIKeyKPUWPCWZWSOTLF-RKDXNWHRSA-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-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671858
5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996112
2-N-(2-methylcyclopentyl)pyrimidine-2,5-diamine
CID 63278142
[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl] methanesulfonate
CID 90410961
5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
CID 63874176
cis-(1S,3R)-3-[(5-bromopyrimidin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 95770562
5-methyl-N-(2-methylcyclohexyl)pyrimidin-2-amine
CID 63208068
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-5-bromopyrimidin-2-amine
CID 86769592
6-bromo-N-(2,6-dimethylcyclohexyl)-2-methylpyridin-3-amine
CID 114050671
3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline
CID 104776139
N-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptan-2-amine
CID 140701282
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine (CID 95972202) is 5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine is C[C@@H]1CCC[C@@H](C)C1Nc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine?
The InChIKey is KPUWPCWZWSOTLF-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-8-4-3-5-9(2)11(8)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5H2,1-2H3,(H,14,15,16)/t8-,9-/m1/s1.
What are the key properties of 5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine?
5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-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-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 95972202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).