2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

C14H19N3OS — CID 62194547

IUPAC2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COC2CCCCC2)nc2sccc12
InChIInChI=1S/C14H19N3OS/c1-15-13-11-7-8-19-14(11)17-12(16-13)9-18-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,15,16,17)
InChIKeyMIJFTDBIJNAGKQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.58
Rot. Bonds4

About 2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62194547) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62194547
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COC2CCCCC2)nc2sccc12
InChIInChI=1S/C14H19N3OS/c1-15-13-11-7-8-19-14(11)17-12(16-13)9-18-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,15,16,17)
InChIKeyMIJFTDBIJNAGKQ-UHFFFAOYSA-N
XLogP3.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 62194547) is 2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(COC2CCCCC2)nc2sccc12.
What is the InChIKey of 2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MIJFTDBIJNAGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-15-13-11-7-8-19-14(11)17-12(16-13)9-18-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,15,16,17).
What are the key properties of 2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 277.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62194547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).