2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

C19H17ClFN5O2 — CID 68882695

IUPAC2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCO[C@@H](c3c(F)cccc3Cl)C2)nc(-c2ccncn2)cc1=O
InChIInChI=1S/C19H17ClFN5O2/c1-25-17(27)9-15(14-5-6-22-11-23-14)24-19(25)26-7-8-28-16(10-26)18-12(20)3-2-4-13(18)21/h2-6,9,11,16H,7-8,10H2,1H3/t16-/m1/s1
InChIKeyXNEOUNPCJJJHDF-MRXNPFEDSA-N
MW401.83 g/mol
LogP2.61
Rot. Bonds3

About 2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one (PubChem CID 68882695) has the molecular formula C19H17ClFN5O2 and a molecular weight of 401.83 g/mol. Its IUPAC name is 2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
PubChem CID68882695
Molecular FormulaC19H17ClFN5O2
Molecular Weight401.83 g/mol
Exact Mass401.11
IUPAC Name2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCO[C@@H](c3c(F)cccc3Cl)C2)nc(-c2ccncn2)cc1=O
InChIInChI=1S/C19H17ClFN5O2/c1-25-17(27)9-15(14-5-6-22-11-23-14)24-19(25)26-7-8-28-16(10-26)18-12(20)3-2-4-13(18)21/h2-6,9,11,16H,7-8,10H2,1H3/t16-/m1/s1
InChIKeyXNEOUNPCJJJHDF-MRXNPFEDSA-N
XLogP2.61
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one (CID 68882695) is 2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one is Cn1c(N2CCO[C@@H](c3c(F)cccc3Cl)C2)nc(-c2ccncn2)cc1=O.
What is the InChIKey of 2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
The InChIKey is XNEOUNPCJJJHDF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17ClFN5O2/c1-25-17(27)9-15(14-5-6-22-11-23-14)24-19(25)26-7-8-28-16(10-26)18-12(20)3-2-4-13(18)21/h2-6,9,11,16H,7-8,10H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one?
2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one has a molecular weight of 401.83 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 68882695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).