[(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol

C19H27N5O2 — CID 171359901

IUPAC[(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol
SMILESCc1ncccc1Oc1ncnc(NCCN2CCC[C@H](CO)C2)c1C
InChIInChI=1S/C19H27N5O2/c1-14-18(21-8-10-24-9-4-5-16(11-24)12-25)22-13-23-19(14)26-17-6-3-7-20-15(17)2/h3,6-7,13,16,25H,4-5,8-12H2,1-2H3,(H,21,22,23)/t16-/m0/s1
InChIKeyHZAGDYJMFKTOCM-INIZCTEOSA-N
MW357.46 g/mol
LogP2.40
Rot. Bonds7

About [(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol

[(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol (PubChem CID 171359901) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol
PubChem CID171359901
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol
SMILESCc1ncccc1Oc1ncnc(NCCN2CCC[C@H](CO)C2)c1C
InChIInChI=1S/C19H27N5O2/c1-14-18(21-8-10-24-9-4-5-16(11-24)12-25)22-13-23-19(14)26-17-6-3-7-20-15(17)2/h3,6-7,13,16,25H,4-5,8-12H2,1-2H3,(H,21,22,23)/t16-/m0/s1
InChIKeyHZAGDYJMFKTOCM-INIZCTEOSA-N
XLogP2.40
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326640
4-(hydroxymethyl)-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-3-ol
CID 18695916
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide
CID 125161884
2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-6-propan-2-ylpyridine-3-carbonitrile
CID 131943032
2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 131922825
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
CID 124754325
(3S,4S)-3-fluoro-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 71226914
(3R)-1-[3-[3-[3-[3-[3-(hydroxymethyl)piperidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]pyrrolidin-3-ol
CID 134282554
(3R,4R)-4-ethoxy-1-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]pyrrolidin-3-ol
CID 133260538
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol (CID 171359901) is [(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol is Cc1ncccc1Oc1ncnc(NCCN2CCC[C@H](CO)C2)c1C.
What is the InChIKey of [(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol?
The InChIKey is HZAGDYJMFKTOCM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-18(21-8-10-24-9-4-5-16(11-24)12-25)22-13-23-19(14)26-17-6-3-7-20-15(17)2/h3,6-7,13,16,25H,4-5,8-12H2,1-2H3,(H,21,22,23)/t16-/m0/s1.
What are the key properties of [(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol?
[(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol has a molecular weight of 357.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 171359901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).