6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one

C25H26F2N6O2 — CID 168887409

IUPAC6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one
SMILESCC1Nc2c(nc(C3CCOC(c4cnn(C5CC5)c4)C3)nc2-c2ccc(F)cc2F)C(=O)N1C
InChIInChI=1S/C25H26F2N6O2/c1-13-29-22-21(18-6-3-16(26)10-19(18)27)30-24(31-23(22)25(34)32(13)2)14-7-8-35-20(9-14)15-11-28-33(12-15)17-4-5-17/h3,6,10-14,17,20,29H,4-5,7-9H2,1-2H3
InChIKeyZODYIUAUBGOILR-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.43
Rot. Bonds4

About 6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one

6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one (PubChem CID 168887409) has the molecular formula C25H26F2N6O2 and a molecular weight of 480.52 g/mol. Its IUPAC name is 6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one
PubChem CID168887409
Molecular FormulaC25H26F2N6O2
Molecular Weight480.52 g/mol
Exact Mass480.21
IUPAC Name6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one
SMILESCC1Nc2c(nc(C3CCOC(c4cnn(C5CC5)c4)C3)nc2-c2ccc(F)cc2F)C(=O)N1C
InChIInChI=1S/C25H26F2N6O2/c1-13-29-22-21(18-6-3-16(26)10-19(18)27)30-24(31-23(22)25(34)32(13)2)14-7-8-35-20(9-14)15-11-28-33(12-15)17-4-5-17/h3,6,10-14,17,20,29H,4-5,7-9H2,1-2H3
InChIKeyZODYIUAUBGOILR-UHFFFAOYSA-N
XLogP4.43
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one (CID 168887409) is 6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one is CC1Nc2c(nc(C3CCOC(c4cnn(C5CC5)c4)C3)nc2-c2ccc(F)cc2F)C(=O)N1C.
What is the InChIKey of 6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one?
The InChIKey is ZODYIUAUBGOILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O2/c1-13-29-22-21(18-6-3-16(26)10-19(18)27)30-24(31-23(22)25(34)32(13)2)14-7-8-35-20(9-14)15-11-28-33(12-15)17-4-5-17/h3,6,10-14,17,20,29H,4-5,7-9H2,1-2H3.
What are the key properties of 6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one?
6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one has a molecular weight of 480.52 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethyl-1,2-dihydropyrimido[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 168887409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).