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

C22H20N6OS — CID 135946331

IUPAC6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc(-c2ccccc2)sc1CN1CCc2nc(-c3cncnc3)[nH]c(=O)c2C1
InChIInChI=1S/C22H20N6OS/c1-14-19(30-22(25-14)15-5-3-2-4-6-15)12-28-8-7-18-17(11-28)21(29)27-20(26-18)16-9-23-13-24-10-16/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,26,27,29)
InChIKeyJEBFMGAVXUEFCZ-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.22
Rot. Bonds4

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

6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946331) has the molecular formula C22H20N6OS and a molecular weight of 416.51 g/mol. Its IUPAC name is 6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946331
Molecular FormulaC22H20N6OS
Molecular Weight416.51 g/mol
Exact Mass416.14
IUPAC Name6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc(-c2ccccc2)sc1CN1CCc2nc(-c3cncnc3)[nH]c(=O)c2C1
InChIInChI=1S/C22H20N6OS/c1-14-19(30-22(25-14)15-5-3-2-4-6-15)12-28-8-7-18-17(11-28)21(29)27-20(26-18)16-9-23-13-24-10-16/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,26,27,29)
InChIKeyJEBFMGAVXUEFCZ-UHFFFAOYSA-N
XLogP3.22
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944451
6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916319
6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919653
6-[(4,5-dimethylthiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943591
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944886
6-[(2,3-dihydroxyphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916679
6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862423
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944103
6-[(6-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944171
6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946231
2-(4-aminophenyl)-6-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916401
2-(4-chlorophenyl)-6-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916404

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946331) is 6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc(-c2ccccc2)sc1CN1CCc2nc(-c3cncnc3)[nH]c(=O)c2C1.
What is the InChIKey of 6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JEBFMGAVXUEFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS/c1-14-19(30-22(25-14)15-5-3-2-4-6-15)12-28-8-7-18-17(11-28)21(29)27-20(26-18)16-9-23-13-24-10-16/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,26,27,29).
What are the key properties of 6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 416.51 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).