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

C21H30N6O — CID 72893953

IUPAC1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NCc3cccnc3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H30N6O/c1-2-18-14-20(25-21(24-18)27-10-12-28-13-11-27)26-8-5-19(6-9-26)23-16-17-4-3-7-22-15-17/h3-4,7,14-15,19,23H,2,5-6,8-13,16H2,1H3
InChIKeyWKWRMVDAFMAFFV-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.03
Rot. Bonds6

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

1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 72893953) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID72893953
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NCc3cccnc3)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H30N6O/c1-2-18-14-20(25-21(24-18)27-10-12-28-13-11-27)26-8-5-19(6-9-26)23-16-17-4-3-7-22-15-17/h3-4,7,14-15,19,23H,2,5-6,8-13,16H2,1H3
InChIKeyWKWRMVDAFMAFFV-UHFFFAOYSA-N
XLogP2.03
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine with MolForge

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Related Compounds

1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 72927726
4-(4-ethyl-6-pyridin-3-ylpyrimidin-2-yl)morpholine
CID 39804563
1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
CID 97281088
6-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112912257
6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 50979486
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604816
4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 171982985
6-ethyl-2-morpholin-4-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-4-amine
CID 134698488
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
1-[4-(2-methylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]-3-(pyridin-3-ylmethyl)thiourea
CID 133197211
1-[4-[(2S)-2-methylpiperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-(pyridin-3-ylmethyl)thiourea
CID 100782300

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine (CID 72893953) is 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine is CCc1cc(N2CCC(NCc3cccnc3)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is WKWRMVDAFMAFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-2-18-14-20(25-21(24-18)27-10-12-28-13-11-27)26-8-5-19(6-9-26)23-16-17-4-3-7-22-15-17/h3-4,7,14-15,19,23H,2,5-6,8-13,16H2,1H3.
What are the key properties of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine?
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 382.51 g/mol, XLogP of 2.03, 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-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 72893953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).