4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine

C19H26N6O — CID 134705870

IUPAC4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCCc1cc(N2CCC(Oc3ncccn3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H26N6O/c1-2-15-14-17(23-18(22-15)25-10-3-4-11-25)24-12-6-16(7-13-24)26-19-20-8-5-9-21-19/h5,8-9,14,16H,2-4,6-7,10-13H2,1H3
InChIKeyAUYZZISSGMFCQB-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.48
Rot. Bonds5

About 4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine

4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine (PubChem CID 134705870) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
PubChem CID134705870
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCCc1cc(N2CCC(Oc3ncccn3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C19H26N6O/c1-2-15-14-17(23-18(22-15)25-10-3-4-11-25)24-12-6-16(7-13-24)26-19-20-8-5-9-21-19/h5,8-9,14,16H,2-4,6-7,10-13H2,1H3
InChIKeyAUYZZISSGMFCQB-UHFFFAOYSA-N
XLogP2.48
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 72850131
4-ethyl-2-methoxy-6-pyrrolidin-1-ylpyrimidine
CID 178092241
1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
CID 97281088
2-methyl-5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazine
CID 123758655
(4S,5S)-9-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 163306327
(5R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97148136
1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane
CID 163347871
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133462336
2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine
CID 126971307
4-[4-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylmorpholine
CID 135116475
3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile
CID 133294715
2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
CID 119059136

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine (CID 134705870) is 4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine is CCc1cc(N2CCC(Oc3ncccn3)CC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is AUYZZISSGMFCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-2-15-14-17(23-18(22-15)25-10-3-4-11-25)24-12-6-16(7-13-24)26-19-20-8-5-9-21-19/h5,8-9,14,16H,2-4,6-7,10-13H2,1H3.
What are the key properties of 4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine?
4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 354.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 134705870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).