3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one

C24H25N5OS — CID 67958740

IUPAC3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one
SMILESCc1nc(-c2cc(C)n(-c3ccnc(-c4nc(C(C)C)ncc4C)c3)c(=O)c2C)cs1
InChIInChI=1S/C24H25N5OS/c1-13(2)23-26-11-14(3)22(28-23)20-10-18(7-8-25-20)29-15(4)9-19(16(5)24(29)30)21-12-31-17(6)27-21/h7-13H,1-6H3
InChIKeyVJSLBVUPISORDB-UHFFFAOYSA-N
MW431.57 g/mol
LogP5.17
Rot. Bonds4

About 3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one

3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one (PubChem CID 67958740) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one
PubChem CID67958740
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one
SMILESCc1nc(-c2cc(C)n(-c3ccnc(-c4nc(C(C)C)ncc4C)c3)c(=O)c2C)cs1
InChIInChI=1S/C24H25N5OS/c1-13(2)23-26-11-14(3)22(28-23)20-10-18(7-8-25-20)29-15(4)9-19(16(5)24(29)30)21-12-31-17(6)27-21/h7-13H,1-6H3
InChIKeyVJSLBVUPISORDB-UHFFFAOYSA-N
XLogP5.17
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.57
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one?
The IUPAC name of 3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one (CID 67958740) is 3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one.
What is the SMILES notation for 3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one?
The canonical SMILES for 3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one is Cc1nc(-c2cc(C)n(-c3ccnc(-c4nc(C(C)C)ncc4C)c3)c(=O)c2C)cs1.
What is the InChIKey of 3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one?
The InChIKey is VJSLBVUPISORDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-13(2)23-26-11-14(3)22(28-23)20-10-18(7-8-25-20)29-15(4)9-19(16(5)24(29)30)21-12-31-17(6)27-21/h7-13H,1-6H3.
What are the key properties of 3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one?
3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one has a molecular weight of 431.57 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-4-(2-methyl-1,3-thiazol-4-yl)pyridin-2-one is sourced from PubChem (CID 67958740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).