1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine

C18H31N5O — CID 72885525

IUPAC1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
SMILESCCc1cnc(C)nc1N1CCC(NCCN2CCOCC2)CC1
InChIInChI=1S/C18H31N5O/c1-3-16-14-20-15(2)21-18(16)23-7-4-17(5-8-23)19-6-9-22-10-12-24-13-11-22/h14,17,19H,3-13H2,1-2H3
InChIKeyIICOOAVIDOHOAN-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.24
Rot. Bonds6

About 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine

1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine (PubChem CID 72885525) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
PubChem CID72885525
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
SMILESCCc1cnc(C)nc1N1CCC(NCCN2CCOCC2)CC1
InChIInChI=1S/C18H31N5O/c1-3-16-14-20-15(2)21-18(16)23-7-4-17(5-8-23)19-6-9-22-10-12-24-13-11-22/h14,17,19H,3-13H2,1-2H3
InChIKeyIICOOAVIDOHOAN-UHFFFAOYSA-N
XLogP1.24
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 50959308
1-{2-[(5-Ethyl-2-methylpyrimidin-4-YL)amino]ethyl}piperidin-4-OL
CID 50978918
3-[[2-(Methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane
CID 56886496
(1-{3-[(2-Amino-5-ethylpyrimidin-4-YL)amino]propyl}piperidin-2-YL)methanol
CID 72910877
5-ethyl-N-(2-morpholin-4-ylbutyl)pyrimidin-2-amine
CID 72919733
5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
2-(4-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}piperazin-1-YL)-5-methylpyrimidin-4-amine
CID 56716702
5-Ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine
CID 72936189
5-ethyl-2-methyl-N-[(3R*,4R*)-4-morpholin-4-yltetrahydrofuran-3-yl]pyrimidin-4-amine
CID 50948859
1-(2-methyl-5-propylpyrimidin-4-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 72873384
5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72873918
1-[(2S)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328398

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
The IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine (CID 72885525) is 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine is CCc1cnc(C)nc1N1CCC(NCCN2CCOCC2)CC1.
What is the InChIKey of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
The InChIKey is IICOOAVIDOHOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-3-16-14-20-15(2)21-18(16)23-7-4-17(5-8-23)19-6-9-22-10-12-24-13-11-22/h14,17,19H,3-13H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine?
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine has a molecular weight of 333.48 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 72885525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).