(2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine

C24H22F2N6O — CID 157044347

IUPAC(2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
SMILESCc1cc([C@H]2CN(c3nc(-c4ccc(F)cc4F)c4nc(C)c(C)nc4n3)CCO2)ccn1
InChIInChI=1S/C24H22F2N6O/c1-13-10-16(6-7-27-13)20-12-32(8-9-33-20)24-30-21(18-5-4-17(25)11-19(18)26)22-23(31-24)29-15(3)14(2)28-22/h4-7,10-11,20H,8-9,12H2,1-3H3/t20-/m1/s1
InChIKeyGLUCUKVEFCBMKX-HXUWFJFHSA-N
MW448.48 g/mol
LogP4.26
Rot. Bonds3

About (2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine

(2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine (PubChem CID 157044347) has the molecular formula C24H22F2N6O and a molecular weight of 448.48 g/mol. Its IUPAC name is (2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
PubChem CID157044347
Molecular FormulaC24H22F2N6O
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC Name(2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
SMILESCc1cc([C@H]2CN(c3nc(-c4ccc(F)cc4F)c4nc(C)c(C)nc4n3)CCO2)ccn1
InChIInChI=1S/C24H22F2N6O/c1-13-10-16(6-7-27-13)20-12-32(8-9-33-20)24-30-21(18-5-4-17(25)11-19(18)26)22-23(31-24)29-15(3)14(2)28-22/h4-7,10-11,20H,8-9,12H2,1-3H3/t20-/m1/s1
InChIKeyGLUCUKVEFCBMKX-HXUWFJFHSA-N
XLogP4.26
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine?
The IUPAC name of (2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine (CID 157044347) is (2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine.
What is the SMILES notation for (2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine?
The canonical SMILES for (2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine is Cc1cc([C@H]2CN(c3nc(-c4ccc(F)cc4F)c4nc(C)c(C)nc4n3)CCO2)ccn1.
What is the InChIKey of (2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine?
The InChIKey is GLUCUKVEFCBMKX-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H22F2N6O/c1-13-10-16(6-7-27-13)20-12-32(8-9-33-20)24-30-21(18-5-4-17(25)11-19(18)26)22-23(31-24)29-15(3)14(2)28-22/h4-7,10-11,20H,8-9,12H2,1-3H3/t20-/m1/s1.
What are the key properties of (2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine?
(2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine has a molecular weight of 448.48 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine is sourced from PubChem (CID 157044347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).