N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine

C15H24BrN3O — CID 102637651

IUPACN-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(N(C)C2CCCCC2Br)n1
InChIInChI=1S/C15H24BrN3O/c1-10(2)20-14-9-11(3)17-15(18-14)19(4)13-8-6-5-7-12(13)16/h9-10,12-13H,5-8H2,1-4H3
InChIKeyHNMORIXFYYUZTJ-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.71
Rot. Bonds4

About N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine

N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 102637651) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID102637651
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC NameN-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(N(C)C2CCCCC2Br)n1
InChIInChI=1S/C15H24BrN3O/c1-10(2)20-14-9-11(3)17-15(18-14)19(4)13-8-6-5-7-12(13)16/h9-10,12-13H,5-8H2,1-4H3
InChIKeyHNMORIXFYYUZTJ-UHFFFAOYSA-N
XLogP3.71
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine (CID 102637651) is N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(N(C)C2CCCCC2Br)n1.
What is the InChIKey of N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is HNMORIXFYYUZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-10(2)20-14-9-11(3)17-15(18-14)19(4)13-8-6-5-7-12(13)16/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine?
N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 342.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 102637651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).