2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H22N4OS — CID 135862327

IUPAC2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCCC2)nc2c1CN(Cc1nccs1)CC2
InChIInChI=1S/C17H22N4OS/c22-17-13-10-21(11-15-18-7-9-23-15)8-6-14(13)19-16(20-17)12-4-2-1-3-5-12/h7,9,12H,1-6,8,10-11H2,(H,19,20,22)
InChIKeyWUYZMRMTYTWETD-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.83
Rot. Bonds3

About 2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862327) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135862327
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCCC2)nc2c1CN(Cc1nccs1)CC2
InChIInChI=1S/C17H22N4OS/c22-17-13-10-21(11-15-18-7-9-23-15)8-6-14(13)19-16(20-17)12-4-2-1-3-5-12/h7,9,12H,1-6,8,10-11H2,(H,19,20,22)
InChIKeyWUYZMRMTYTWETD-UHFFFAOYSA-N
XLogP2.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862327) is 2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CCCCC2)nc2c1CN(Cc1nccs1)CC2.
What is the InChIKey of 2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WUYZMRMTYTWETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c22-17-13-10-21(11-15-18-7-9-23-15)8-6-14(13)19-16(20-17)12-4-2-1-3-5-12/h7,9,12H,1-6,8,10-11H2,(H,19,20,22).
What are the key properties of 2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 330.46 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).