5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one

C19H27N3O — CID 118027878

IUPAC5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one
SMILESCCCCc1cnc(CC)nc1-c1cc(C(C)C)c(=O)n(C)c1
InChIInChI=1S/C19H27N3O/c1-6-8-9-14-11-20-17(7-2)21-18(14)15-10-16(13(3)4)19(23)22(5)12-15/h10-13H,6-9H2,1-5H3
InChIKeyVSYSXMRLDOGECK-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.87
Rot. Bonds6

About 5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one

5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one (PubChem CID 118027878) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one
PubChem CID118027878
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one
SMILESCCCCc1cnc(CC)nc1-c1cc(C(C)C)c(=O)n(C)c1
InChIInChI=1S/C19H27N3O/c1-6-8-9-14-11-20-17(7-2)21-18(14)15-10-16(13(3)4)19(23)22(5)12-15/h10-13H,6-9H2,1-5H3
InChIKeyVSYSXMRLDOGECK-UHFFFAOYSA-N
XLogP3.87
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(Dimethylamino)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 164627287
US10023592, Example 310
CID 118021796
US10023592, Example 363
CID 118021992
US10023592, Example 305
CID 118022238
US10023592, Example 308
CID 118022303
US10023592, Example 511
CID 118027871
US10023592, Example 508
CID 118027872
US10023592, Example 513
CID 118027879
US10941160, Example 358
CID 148869710
US10941160, Example 310
CID 149261512
1-[4-(5-Methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 73440412
N,2-Dicyclopropyl-4-methyl-N-[(2E)-3-phenylprop-2-EN-1-YL]pyrimidine-5-carboxamide
CID 50978456

Frequently Asked Questions

What is the IUPAC name of 5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one?
The IUPAC name of 5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one (CID 118027878) is 5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one is CCCCc1cnc(CC)nc1-c1cc(C(C)C)c(=O)n(C)c1.
What is the InChIKey of 5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one?
The InChIKey is VSYSXMRLDOGECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-6-8-9-14-11-20-17(7-2)21-18(14)15-10-16(13(3)4)19(23)22(5)12-15/h10-13H,6-9H2,1-5H3.
What are the key properties of 5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one?
5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one has a molecular weight of 313.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-butyl-2-ethylpyrimidin-4-yl)-1-methyl-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 118027878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).