[4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol

C18H29N3O3 — CID 125162220

IUPAC[4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCCC1(CO)CCN(c2cc([C@H]3CCOC3)nc(COC)n2)CC1
InChIInChI=1S/C18H29N3O3/c1-3-18(13-22)5-7-21(8-6-18)17-10-15(14-4-9-24-11-14)19-16(20-17)12-23-2/h10,14,22H,3-9,11-13H2,1-2H3/t14-/m0/s1
InChIKeyZPDNAZFBQOXPFN-AWEZNQCLSA-N
MW335.45 g/mol
LogP2.12
Rot. Bonds6

About [4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol

[4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol (PubChem CID 125162220) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is [4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
PubChem CID125162220
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name[4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
SMILESCCC1(CO)CCN(c2cc([C@H]3CCOC3)nc(COC)n2)CC1
InChIInChI=1S/C18H29N3O3/c1-3-18(13-22)5-7-21(8-6-18)17-10-15(14-4-9-24-11-14)19-16(20-17)12-23-2/h10,14,22H,3-9,11-13H2,1-2H3/t14-/m0/s1
InChIKeyZPDNAZFBQOXPFN-AWEZNQCLSA-N
XLogP2.12
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol with MolForge

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Related Compounds

ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 119064029
2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol
CID 126442787
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 119061228
4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine
CID 126446346
(1S,5R)-3-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonane
CID 126436849
1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 126438234
2-(methoxymethyl)-4-[(3S)-oxolan-3-yl]-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
CID 126445987
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
CID 126441110
N-cyclohexyl-N-ethyl-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119070220
[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 126430167
2-[[4-(2,2-diethylmorpholin-4-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126436985

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol (CID 125162220) is [4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol is CCC1(CO)CCN(c2cc([C@H]3CCOC3)nc(COC)n2)CC1.
What is the InChIKey of [4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol?
The InChIKey is ZPDNAZFBQOXPFN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-3-18(13-22)5-7-21(8-6-18)17-10-15(14-4-9-24-11-14)19-16(20-17)12-23-2/h10,14,22H,3-9,11-13H2,1-2H3/t14-/m0/s1.
What are the key properties of [4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol?
[4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol has a molecular weight of 335.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 125162220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).