6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one

C26H24F2N4O2 — CID 177151460

IUPAC6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one
SMILESCc1cc([C@@H]2C[C@H](c3cc4nc(C)c(C)c(=O)n4c(-c4ccc(F)cc4F)n3)CCO2)ccn1
InChIInChI=1S/C26H24F2N4O2/c1-14-10-18(6-8-29-14)23-11-17(7-9-34-23)22-13-24-30-16(3)15(2)26(33)32(24)25(31-22)20-5-4-19(27)12-21(20)28/h4-6,8,10,12-13,17,23H,7,9,11H2,1-3H3/t17-,23+/m1/s1
InChIKeyZKBRXKYWDFZYOC-HXOBKFHXSA-N
MW462.50 g/mol
LogP4.99
Rot. Bonds3

About 6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one

6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one (PubChem CID 177151460) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one
PubChem CID177151460
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one
SMILESCc1cc([C@@H]2C[C@H](c3cc4nc(C)c(C)c(=O)n4c(-c4ccc(F)cc4F)n3)CCO2)ccn1
InChIInChI=1S/C26H24F2N4O2/c1-14-10-18(6-8-29-14)23-11-17(7-9-34-23)22-13-24-30-16(3)15(2)26(33)32(24)25(31-22)20-5-4-19(27)12-21(20)28/h4-6,8,10,12-13,17,23H,7,9,11H2,1-3H3/t17-,23+/m1/s1
InChIKeyZKBRXKYWDFZYOC-HXOBKFHXSA-N
XLogP4.99
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one with MolForge

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Related Compounds

13-(2,4-difluorophenyl)-11-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-oxa-1,8,12-triazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 177151435
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830782
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830780
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830781
6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(4S)-2-[[(3S)-oxolan-3-yl]methyl]oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one
CID 177151355
7-[(2R,4S)-2-(2-cyclopropyl-4-pyridinyl)oxan-4-yl]-9-(2,4-difluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one
CID 177151978
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
CID 157045282
10-(2,4-difluorophenyl)-6-methyl-12-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-oxa-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 177152122
6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-[(3S)-oxolan-3-yl]oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one
CID 177151334
6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R,4S)-2-[(3S)-oxolan-3-yl]oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one
CID 177151441
7-(2,4-difluorophenyl)-2-methyl-5-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-[1,3]thiazolo[5,4-d]pyrimidine
CID 168887641
7-(2,4-difluorophenyl)-2-methyl-5-[2-(2-methyl-4-pyridinyl)oxan-4-yl]-[1,3]thiazolo[5,4-d]pyrimidine
CID 168887844

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one?
The IUPAC name of 6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one (CID 177151460) is 6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one.
What is the SMILES notation for 6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one?
The canonical SMILES for 6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one is Cc1cc([C@@H]2C[C@H](c3cc4nc(C)c(C)c(=O)n4c(-c4ccc(F)cc4F)n3)CCO2)ccn1.
What is the InChIKey of 6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one?
The InChIKey is ZKBRXKYWDFZYOC-HXOBKFHXSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-14-10-18(6-8-29-14)23-11-17(7-9-34-23)22-13-24-30-16(3)15(2)26(33)32(24)25(31-22)20-5-4-19(27)12-21(20)28/h4-6,8,10,12-13,17,23H,7,9,11H2,1-3H3/t17-,23+/m1/s1.
What are the key properties of 6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one?
6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one has a molecular weight of 462.50 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one is sourced from PubChem (CID 177151460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).