1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol

C17H23N5O2 — CID 50958722

IUPAC1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCCOc1ncccc1CNc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C17H23N5O2/c1-2-24-16-13(5-3-8-18-16)11-20-17-19-9-7-15(21-17)22-10-4-6-14(23)12-22/h3,5,7-9,14,23H,2,4,6,10-12H2,1H3,(H,19,20,21)
InChIKeyABPJIOGVABIOSO-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.84
Rot. Bonds6

About 1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol

1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 50958722) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID50958722
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCCOc1ncccc1CNc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C17H23N5O2/c1-2-24-16-13(5-3-8-18-16)11-20-17-19-9-7-15(21-17)22-10-4-6-14(23)12-22/h3,5,7-9,14,23H,2,4,6,10-12H2,1H3,(H,19,20,21)
InChIKeyABPJIOGVABIOSO-UHFFFAOYSA-N
XLogP1.84
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[2-[3-(2-ethoxyphenyl)propylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135100300
(3S)-1-[2-[(2,3-difluoro-4-methylphenyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95122099
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135088444
1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 135117171
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 134703687
1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 134712116
1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50973711
1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
CID 134707232

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol (CID 50958722) is 1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol is CCOc1ncccc1CNc1nccc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is ABPJIOGVABIOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-24-16-13(5-3-8-18-16)11-20-17-19-9-7-15(21-17)22-10-4-6-14(23)12-22/h3,5,7-9,14,23H,2,4,6,10-12H2,1H3,(H,19,20,21).
What are the key properties of 1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol?
1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 329.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 50958722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).