3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one

C24H26FN5O2 — CID 124989667

IUPAC3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCc1nc(N)nc(C)c1CCC(=O)N1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C24H26FN5O2/c1-15-19(16(2)28-24(26)27-15)9-10-23(31)30-11-12-32-22(14-30)21-8-4-7-20(29-21)17-5-3-6-18(25)13-17/h3-8,13,22H,9-12,14H2,1-2H3,(H2,26,27,28)/t22-/m1/s1
InChIKeyOWACLSAXNPHYIS-JOCHJYFZSA-N
MW435.50 g/mol
LogP3.41
Rot. Bonds5

About 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one

3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 124989667) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
PubChem CID124989667
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCc1nc(N)nc(C)c1CCC(=O)N1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C24H26FN5O2/c1-15-19(16(2)28-24(26)27-15)9-10-23(31)30-11-12-32-22(14-30)21-8-4-7-20(29-21)17-5-3-6-18(25)13-17/h3-8,13,22H,9-12,14H2,1-2H3,(H2,26,27,28)/t22-/m1/s1
InChIKeyOWACLSAXNPHYIS-JOCHJYFZSA-N
XLogP3.41
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 124992756
2-[2-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 125003543
3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 132772804
1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 127250571
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 124993546
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 124950091
1-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 124950092
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 134044274
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110112458
4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 125014118
3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124960389
1-[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 110113401

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 124989667) is 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one is Cc1nc(N)nc(C)c1CCC(=O)N1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1.
What is the InChIKey of 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The InChIKey is OWACLSAXNPHYIS-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-15-19(16(2)28-24(26)27-15)9-10-23(31)30-11-12-32-22(14-30)21-8-4-7-20(29-21)17-5-3-6-18(25)13-17/h3-8,13,22H,9-12,14H2,1-2H3,(H2,26,27,28)/t22-/m1/s1.
What are the key properties of 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 435.50 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124989667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).