2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone

C18H23N5O2 — CID 95820261

IUPAC2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ccccn3)n2)C1
InChIInChI=1S/C18H23N5O2/c1-13-10-16(21-15-7-3-4-8-19-15)22-18(20-13)14-6-5-9-23(11-14)17(24)12-25-2/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3,(H,19,20,21,22)/t14-/m1/s1
InChIKeyJKFADNIEVBWYKN-CQSZACIVSA-N
MW341.42 g/mol
LogP2.28
Rot. Bonds5

About 2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone

2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95820261) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
PubChem CID95820261
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ccccn3)n2)C1
InChIInChI=1S/C18H23N5O2/c1-13-10-16(21-15-7-3-4-8-19-15)22-18(20-13)14-6-5-9-23(11-14)17(24)12-25-2/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3,(H,19,20,21,22)/t14-/m1/s1
InChIKeyJKFADNIEVBWYKN-CQSZACIVSA-N
XLogP2.28
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95820268
cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 95820279
2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 155985337
2-(dimethylamino)-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95820312
2-(2-chloroanilino)-1-[4-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110111165
1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822420
1-[(3S)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822419
(3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 95842363
2-methoxy-1-[(3S)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92622452
2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256403
2-methoxy-1-[(3R)-3-[2-methyl-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124969001
2-(3-chloro-2-methylanilino)-1-[4-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110111163

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 95820261) is 2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ccccn3)n2)C1.
What is the InChIKey of 2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is JKFADNIEVBWYKN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-10-16(21-15-7-3-4-8-19-15)22-18(20-13)14-6-5-9-23(11-14)17(24)12-25-2/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3,(H,19,20,21,22)/t14-/m1/s1.
What are the key properties of 2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 341.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95820261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).