4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine

C21H29N5O2 — CID 91204951

IUPAC4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine
SMILESCCc1cc(C)ncc1-c1nc(N2CCOCC2)cc(N2CCOC(C)C2)n1
InChIInChI=1S/C21H29N5O2/c1-4-17-11-15(2)22-13-18(17)21-23-19(25-5-8-27-9-6-25)12-20(24-21)26-7-10-28-16(3)14-26/h11-13,16H,4-10,14H2,1-3H3
InChIKeyXBFNWMJOHNGABL-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.47
Rot. Bonds4

About 4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine

4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine (PubChem CID 91204951) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine
PubChem CID91204951
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine
SMILESCCc1cc(C)ncc1-c1nc(N2CCOCC2)cc(N2CCOC(C)C2)n1
InChIInChI=1S/C21H29N5O2/c1-4-17-11-15(2)22-13-18(17)21-23-19(25-5-8-27-9-6-25)12-20(24-21)26-7-10-28-16(3)14-26/h11-13,16H,4-10,14H2,1-3H3
InChIKeyXBFNWMJOHNGABL-UHFFFAOYSA-N
XLogP2.47
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine with MolForge

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Related Compounds

[4-(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95799249
2-methyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764461
N-[[6-methyl-4-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81249369
5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine
CID 172744621
8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid
CID 129030010
[2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-4-pyridinyl]methanamine
CID 113379380
[5-chloro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methanamine
CID 114925011
(2S)-2-methyl-4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]morpholine
CID 118869266
methyl 4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridine-2-carboxylate
CID 172634298
(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine
CID 31540398
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-1H-pyrimidin-6-one
CID 136957833
4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine
CID 80628844

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine?
The IUPAC name of 4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine (CID 91204951) is 4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine.
What is the SMILES notation for 4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine?
The canonical SMILES for 4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine is CCc1cc(C)ncc1-c1nc(N2CCOCC2)cc(N2CCOC(C)C2)n1.
What is the InChIKey of 4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine?
The InChIKey is XBFNWMJOHNGABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-4-17-11-15(2)22-13-18(17)21-23-19(25-5-8-27-9-6-25)12-20(24-21)26-7-10-28-16(3)14-26/h11-13,16H,4-10,14H2,1-3H3.
What are the key properties of 4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine?
4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine has a molecular weight of 383.50 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethyl-6-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methylmorpholine is sourced from PubChem (CID 91204951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).