1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine

C20H33N5O2 — CID 72927726

IUPAC1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NCC3CCOC3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H33N5O2/c1-2-17-13-19(23-20(22-17)25-8-11-26-12-9-25)24-6-3-18(4-7-24)21-14-16-5-10-27-15-16/h13,16,18,21H,2-12,14-15H2,1H3
InChIKeyXRKOUGOJUABPER-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.47
Rot. Bonds6

About 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine

1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine (PubChem CID 72927726) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
PubChem CID72927726
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NCC3CCOC3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H33N5O2/c1-2-17-13-19(23-20(22-17)25-8-11-26-12-9-25)24-6-3-18(4-7-24)21-14-16-5-10-27-15-16/h13,16,18,21H,2-12,14-15H2,1H3
InChIKeyXRKOUGOJUABPER-UHFFFAOYSA-N
XLogP1.47
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
CID 97281088
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 72893953
2-[4-methyl-6-[4-[[(3S)-oxolan-3-yl]methylamino]piperidin-1-yl]pyrimidin-2-yl]phenol
CID 136831945
N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 154897896
N-(oxolan-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 43206664
4-[4-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylmorpholine
CID 135116475
(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-methylpiperazine-2-carboxylic acid
CID 95200887
2-[5-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
CID 56721548
8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 50970181
(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
CID 95123943
4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 50962400
1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-N-[3-(oxolan-3-yl)propyl]piperidin-4-amine
CID 72891852

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine (CID 72927726) is 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine is CCc1cc(N2CCC(NCC3CCOC3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The InChIKey is XRKOUGOJUABPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-2-17-13-19(23-20(22-17)25-8-11-26-12-9-25)24-6-3-18(4-7-24)21-14-16-5-10-27-15-16/h13,16,18,21H,2-12,14-15H2,1H3.
What are the key properties of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine?
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine has a molecular weight of 375.52 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 72927726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).