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

C12H14N4OS — CID 103483554

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc(Cn2cnc3c(c2=O)CCNC3)cs1
InChIInChI=1S/C12H14N4OS/c1-8-15-9(6-18-8)5-16-7-14-11-4-13-3-2-10(11)12(16)17/h6-7,13H,2-5H2,1H3
InChIKeyPLWUJLSSPFKFJE-UHFFFAOYSA-N
MW262.34 g/mol
LogP0.70
Rot. Bonds2

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

3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483554) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483554
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc(Cn2cnc3c(c2=O)CCNC3)cs1
InChIInChI=1S/C12H14N4OS/c1-8-15-9(6-18-8)5-16-7-14-11-4-13-3-2-10(11)12(16)17/h6-7,13H,2-5H2,1H3
InChIKeyPLWUJLSSPFKFJE-UHFFFAOYSA-N
XLogP0.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483554) is 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1nc(Cn2cnc3c(c2=O)CCNC3)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is PLWUJLSSPFKFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-15-9(6-18-8)5-16-7-14-11-4-13-3-2-10(11)12(16)17/h6-7,13H,2-5H2,1H3.
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 262.34 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).