N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine

C14H23N3O2 — CID 115354929

IUPACN-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC2CCCCCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-18-12-10-13(19-2)17-14(16-12)15-11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyOGTHFPOAASTJMN-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.02
Rot. Bonds4

About N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine

N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine (PubChem CID 115354929) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
PubChem CID115354929
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC2CCCCCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-18-12-10-13(19-2)17-14(16-12)15-11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyOGTHFPOAASTJMN-UHFFFAOYSA-N
XLogP3.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine
CID 115354965
1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine
CID 115355322
N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090
N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine
CID 112634935
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 112638041
[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112753377
2-N-cyclohexyl-4-N,6-N-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 59302702
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
4-methoxy-6-methyl-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671869
N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
CID 71031794

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine (CID 115354929) is N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine is COc1cc(OC)nc(NC2CCCCCCC2)n1.
What is the InChIKey of N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is OGTHFPOAASTJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-18-12-10-13(19-2)17-14(16-12)15-11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine?
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 115354929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).