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

C14H19N3OS — CID 103332489

IUPAC4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OCC2CCCCC2)c2ccsc2n1
InChIInChI=1S/C14H19N3OS/c1-15-14-16-12(11-7-8-19-13(11)17-14)18-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,15,16,17)
InChIKeyFHEGMNYFXRPCFH-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.69
Rot. Bonds4

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

4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332489) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103332489
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OCC2CCCCC2)c2ccsc2n1
InChIInChI=1S/C14H19N3OS/c1-15-14-16-12(11-7-8-19-13(11)17-14)18-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,15,16,17)
InChIKeyFHEGMNYFXRPCFH-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103332489) is 4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(OCC2CCCCC2)c2ccsc2n1.
What is the InChIKey of 4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is FHEGMNYFXRPCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-15-14-16-12(11-7-8-19-13(11)17-14)18-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,15,16,17).
What are the key properties of 4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).