[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone

C23H25N5O2 — CID 124967445

IUPAC[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
SMILESCc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CN(C(=O)c3ccccc3)CCO2)n1
InChIInChI=1S/C23H25N5O2/c1-15-11-16(2)26-23(25-15)27-19-12-17(3)24-20(13-19)21-14-28(9-10-30-21)22(29)18-7-5-4-6-8-18/h4-8,11-13,21H,9-10,14H2,1-3H3,(H,24,25,26,27)/t21-/m0/s1
InChIKeyITCZZWITTGWNET-NRFANRHFSA-N
MW403.49 g/mol
LogP3.75
Rot. Bonds4

About [(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone

[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone (PubChem CID 124967445) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
PubChem CID124967445
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
SMILESCc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CN(C(=O)c3ccccc3)CCO2)n1
InChIInChI=1S/C23H25N5O2/c1-15-11-16(2)26-23(25-15)27-19-12-17(3)24-20(13-19)21-14-28(9-10-30-21)22(29)18-7-5-4-6-8-18/h4-8,11-13,21H,9-10,14H2,1-3H3,(H,24,25,26,27)/t21-/m0/s1
InChIKeyITCZZWITTGWNET-NRFANRHFSA-N
XLogP3.75
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 96556883
1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone
CID 124990655
(3-methoxyphenyl)-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 125013159
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124952717
2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 155901308
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 124960863
[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone
CID 95847585
(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125015560
[(2S)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124983996
[2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone
CID 110271867
[2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 127251614
[(2S)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 124965137

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone (CID 124967445) is [(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone is Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CN(C(=O)c3ccccc3)CCO2)n1.
What is the InChIKey of [(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone?
The InChIKey is ITCZZWITTGWNET-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-11-16(2)26-23(25-15)27-19-12-17(3)24-20(13-19)21-14-28(9-10-30-21)22(29)18-7-5-4-6-8-18/h4-8,11-13,21H,9-10,14H2,1-3H3,(H,24,25,26,27)/t21-/m0/s1.
What are the key properties of [(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone?
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone has a molecular weight of 403.49 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 124967445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).