2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine

C15H21N3OS — CID 133403347

IUPAC2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC2CCCCC2OC)c2ccsc2n1
InChIInChI=1S/C15H21N3OS/c1-3-13-17-14(10-8-9-20-15(10)18-13)16-11-6-4-5-7-12(11)19-2/h8-9,11-12H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyDPOYATMFKTYTLK-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.62
Rot. Bonds4

About 2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133403347) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133403347
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC2CCCCC2OC)c2ccsc2n1
InChIInChI=1S/C15H21N3OS/c1-3-13-17-14(10-8-9-20-15(10)18-13)16-11-6-4-5-7-12(11)19-2/h8-9,11-12H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyDPOYATMFKTYTLK-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine (CID 133403347) is 2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NC2CCCCC2OC)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DPOYATMFKTYTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-13-17-14(10-8-9-20-15(10)18-13)16-11-6-4-5-7-12(11)19-2/h8-9,11-12H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133403347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).