4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine

C21H22N4O3 — CID 58137118

IUPAC4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESCOc1cccc(OCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C21H22N4O3/c1-26-17-5-4-6-18(14-17)28-15-16-13-20(25-9-11-27-12-10-25)24-21(23-16)19-7-2-3-8-22-19/h2-8,13-14H,9-12,15H2,1H3
InChIKeyRKXFDPPDCWTBLN-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.96
Rot. Bonds6

About 4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine

4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine (PubChem CID 58137118) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
PubChem CID58137118
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILESCOc1cccc(OCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C21H22N4O3/c1-26-17-5-4-6-18(14-17)28-15-16-13-20(25-9-11-27-12-10-25)24-21(23-16)19-7-2-3-8-22-19/h2-8,13-14H,9-12,15H2,1H3
InChIKeyRKXFDPPDCWTBLN-UHFFFAOYSA-N
XLogP2.96
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 58137077
4-[2-(3-phenylmethoxyphenyl)-6-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 53326165
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 133290790
4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine
CID 19894595
4-(7-methoxy-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)morpholine
CID 162661973
4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine
CID 16657179
4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133294367
4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133348256
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593
3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile
CID 133294715
4-(azepan-1-yl)-6-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 5260975
2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133294894

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine (CID 58137118) is 4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine is COc1cccc(OCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)c1.
What is the InChIKey of 4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
The InChIKey is RKXFDPPDCWTBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-26-17-5-4-6-18(14-17)28-15-16-13-20(25-9-11-27-12-10-25)24-21(23-16)19-7-2-3-8-22-19/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?
4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine has a molecular weight of 378.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3-methoxyphenoxy)methyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 58137118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).