8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one

C25H24ClFN6O2 — CID 170711597

IUPAC8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one
SMILESCc1cc([C@H]2CN(c3nc(-c4ccc(Cl)cc4F)c4nc(C)n(C)c(=O)c4n3)C[C@@H](C)O2)ccn1
InChIInChI=1S/C25H24ClFN6O2/c1-13-9-16(7-8-28-13)20-12-33(11-14(2)35-20)25-30-21(18-6-5-17(26)10-19(18)27)22-23(31-25)24(34)32(4)15(3)29-22/h5-10,14,20H,11-12H2,1-4H3/t14-,20-/m1/s1
InChIKeyNNCWQTSYGVADIY-JLTOFOAXSA-N
MW494.96 g/mol
LogP4.16
Rot. Bonds3

About 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one

8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one (PubChem CID 170711597) has the molecular formula C25H24ClFN6O2 and a molecular weight of 494.96 g/mol. Its IUPAC name is 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one
PubChem CID170711597
Molecular FormulaC25H24ClFN6O2
Molecular Weight494.96 g/mol
Exact Mass494.16
IUPAC Name8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one
SMILESCc1cc([C@H]2CN(c3nc(-c4ccc(Cl)cc4F)c4nc(C)n(C)c(=O)c4n3)C[C@@H](C)O2)ccn1
InChIInChI=1S/C25H24ClFN6O2/c1-13-9-16(7-8-28-13)20-12-33(11-14(2)35-20)25-30-21(18-6-5-17(26)10-19(18)27)22-23(31-25)24(34)32(4)15(3)29-22/h5-10,14,20H,11-12H2,1-4H3/t14-,20-/m1/s1
InChIKeyNNCWQTSYGVADIY-JLTOFOAXSA-N
XLogP4.16
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.96
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one?
The IUPAC name of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one (CID 170711597) is 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one?
The canonical SMILES for 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one is Cc1cc([C@H]2CN(c3nc(-c4ccc(Cl)cc4F)c4nc(C)n(C)c(=O)c4n3)C[C@@H](C)O2)ccn1.
What is the InChIKey of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one?
The InChIKey is NNCWQTSYGVADIY-JLTOFOAXSA-N. The full InChI is InChI=1S/C25H24ClFN6O2/c1-13-9-16(7-8-28-13)20-12-33(11-14(2)35-20)25-30-21(18-6-5-17(26)10-19(18)27)22-23(31-25)24(34)32(4)15(3)29-22/h5-10,14,20H,11-12H2,1-4H3/t14-,20-/m1/s1.
What are the key properties of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one?
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one has a molecular weight of 494.96 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 170711597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).