2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine

C14H23N3O2 — CID 80654151

IUPAC2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COC2CCCC(OC)C2)n1
InChIInChI=1S/C14H23N3O2/c1-10-7-13(15-2)17-14(16-10)9-19-12-6-4-5-11(8-12)18-3/h7,11-12H,4-6,8-9H2,1-3H3,(H,15,16,17)
InChIKeyHEINOUNVAPCSMF-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.30
Rot. Bonds5

About 2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine

2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80654151) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80654151
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COC2CCCC(OC)C2)n1
InChIInChI=1S/C14H23N3O2/c1-10-7-13(15-2)17-14(16-10)9-19-12-6-4-5-11(8-12)18-3/h7,11-12H,4-6,8-9H2,1-3H3,(H,15,16,17)
InChIKeyHEINOUNVAPCSMF-UHFFFAOYSA-N
XLogP2.30
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine (CID 80654151) is 2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(COC2CCCC(OC)C2)n1.
What is the InChIKey of 2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is HEINOUNVAPCSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-7-13(15-2)17-14(16-10)9-19-12-6-4-5-11(8-12)18-3/h7,11-12H,4-6,8-9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine?
2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80654151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).