4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine

C14H23N3O — CID 112638041

IUPAC4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC2CCCCCC2C)n1
InChIInChI=1S/C14H23N3O/c1-10-7-5-4-6-8-12(10)16-14-15-11(2)9-13(17-14)18-3/h9-10,12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyDNQNOOIQIJPUPY-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.17
Rot. Bonds3

About 4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine

4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine (PubChem CID 112638041) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
PubChem CID112638041
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC2CCCCCC2C)n1
InChIInChI=1S/C14H23N3O/c1-10-7-5-4-6-8-12(10)16-14-15-11(2)9-13(17-14)18-3/h9-10,12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyDNQNOOIQIJPUPY-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylcyclohexyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636524
4,6-dimethyl-N-(2-methylcyclopentyl)pyrimidin-2-amine
CID 63281309
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094
cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 138032937
[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentyl]methanol
CID 113243952
1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine
CID 115355322
2-cyclohexyl-6-methoxy-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 82458345
4-methoxy-6-methyl-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671869
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine
CID 112634935
6-methoxy-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 82453766
4-methoxy-6-methyl-N-(2-propylcyclopropyl)pyrimidin-2-amine
CID 103710921

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine (CID 112638041) is 4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine is COc1cc(C)nc(NC2CCCCCC2C)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine?
The InChIKey is DNQNOOIQIJPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-7-5-4-6-8-12(10)16-14-15-11(2)9-13(17-14)18-3/h9-10,12H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine?
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine is sourced from PubChem (CID 112638041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).