5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine

C13H20BrN3O — CID 106997817

IUPAC5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine
SMILESCOc1nc(NC2CCCCCC2C)ncc1Br
InChIInChI=1S/C13H20BrN3O/c1-9-6-4-3-5-7-11(9)16-13-15-8-10(14)12(17-13)18-2/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyQFYYTVCLRSBCEG-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.63
Rot. Bonds3

About 5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine (PubChem CID 106997817) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine
PubChem CID106997817
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine
SMILESCOc1nc(NC2CCCCCC2C)ncc1Br
InChIInChI=1S/C13H20BrN3O/c1-9-6-4-3-5-7-11(9)16-13-15-8-10(14)12(17-13)18-2/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyQFYYTVCLRSBCEG-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
CID 106997842
5-methyl-N-(2-methylcyclohexyl)pyrimidin-2-amine
CID 63208068
5-bromo-2-chloro-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 79074019
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337
1-N-(5-bromo-4-methoxypyrimidin-2-yl)cyclobutane-1,3-diamine
CID 106998056
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-4-methoxypyrimidin-2-amine
CID 106998950
5-bromo-4-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-2-amine
CID 106997879
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 112638041
5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998740
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine
CID 103748709
2-N-(2-methylcyclopentyl)pyrimidine-2,5-diamine
CID 63278142

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine (CID 106997817) is 5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine is COc1nc(NC2CCCCCC2C)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine?
The InChIKey is QFYYTVCLRSBCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9-6-4-3-5-7-11(9)16-13-15-8-10(14)12(17-13)18-2/h8-9,11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine has a molecular weight of 314.23 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(2-methylcycloheptyl)pyrimidin-2-amine is sourced from PubChem (CID 106997817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).