1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone

C21H27N5O3 — CID 110263919

IUPAC1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone
SMILESNc1ncc(-c2ccc(C3CCN(C(=O)COCC4CCCO4)CC3)nc2)cn1
InChIInChI=1S/C21H27N5O3/c22-21-24-11-17(12-25-21)16-3-4-19(23-10-16)15-5-7-26(8-6-15)20(27)14-28-13-18-2-1-9-29-18/h3-4,10-12,15,18H,1-2,5-9,13-14H2,(H2,22,24,25)
InChIKeyKMZVCZIZGATRHW-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.02
Rot. Bonds6

About 1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone

1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone (PubChem CID 110263919) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone
PubChem CID110263919
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone
SMILESNc1ncc(-c2ccc(C3CCN(C(=O)COCC4CCCO4)CC3)nc2)cn1
InChIInChI=1S/C21H27N5O3/c22-21-24-11-17(12-25-21)16-3-4-19(23-10-16)15-5-7-26(8-6-15)20(27)14-28-13-18-2-1-9-29-18/h3-4,10-12,15,18H,1-2,5-9,13-14H2,(H2,22,24,25)
InChIKeyKMZVCZIZGATRHW-UHFFFAOYSA-N
XLogP2.02
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone with MolForge

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Related Compounds

1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 110263923
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 97136574
1-[2-[2-[(3R)-3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 92615927
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 95598403
2-(oxolan-2-ylmethoxy)-1-[4-(2-phenylethyl)piperidin-1-yl]ethanone
CID 70718982
4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 155983104
2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 136531026
1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 92609095
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 99971048
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 56710278

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone?
The IUPAC name of 1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone (CID 110263919) is 1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone.
What is the SMILES notation for 1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone?
The canonical SMILES for 1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone is Nc1ncc(-c2ccc(C3CCN(C(=O)COCC4CCCO4)CC3)nc2)cn1.
What is the InChIKey of 1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone?
The InChIKey is KMZVCZIZGATRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c22-21-24-11-17(12-25-21)16-3-4-19(23-10-16)15-5-7-26(8-6-15)20(27)14-28-13-18-2-1-9-29-18/h3-4,10-12,15,18H,1-2,5-9,13-14H2,(H2,22,24,25).
What are the key properties of 1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone?
1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone has a molecular weight of 397.48 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxolan-2-ylmethoxy)ethanone is sourced from PubChem (CID 110263919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).