2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine

C20H25N7O3 — CID 155503021

IUPAC2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine
SMILESCOCCn1nnc(C2CN(Cc3cnc(-c4ccccc4OC)nc3)CCO2)n1
InChIInChI=1S/C20H25N7O3/c1-28-9-8-27-24-20(23-25-27)18-14-26(7-10-30-18)13-15-11-21-19(22-12-15)16-5-3-4-6-17(16)29-2/h3-6,11-12,18H,7-10,13-14H2,1-2H3
InChIKeyVXXRLZBKFPLWJY-UHFFFAOYSA-N
MW411.47 g/mol
LogP1.36
Rot. Bonds8

About 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine

2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine (PubChem CID 155503021) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine
PubChem CID155503021
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC Name2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine
SMILESCOCCn1nnc(C2CN(Cc3cnc(-c4ccccc4OC)nc3)CCO2)n1
InChIInChI=1S/C20H25N7O3/c1-28-9-8-27-24-20(23-25-27)18-14-26(7-10-30-18)13-15-11-21-19(22-12-15)16-5-3-4-6-17(16)29-2/h3-6,11-12,18H,7-10,13-14H2,1-2H3
InChIKeyVXXRLZBKFPLWJY-UHFFFAOYSA-N
XLogP1.36
TPSA100.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 155914582
4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155911936
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155503723
2-[[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine
CID 155916042
[4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 77080984
(8aR)-2-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 99933028
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 155493815
4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155509505
(3R,4R)-1-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-4-methylpiperidine-3,4-diol
CID 133117855
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-(4-methoxyphenyl)sulfonylmorpholine
CID 155507407
3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid
CID 155497759
2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine
CID 155983871

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine?
The IUPAC name of 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine (CID 155503021) is 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine?
The canonical SMILES for 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine is COCCn1nnc(C2CN(Cc3cnc(-c4ccccc4OC)nc3)CCO2)n1.
What is the InChIKey of 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine?
The InChIKey is VXXRLZBKFPLWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-28-9-8-27-24-20(23-25-27)18-14-26(7-10-30-18)13-15-11-21-19(22-12-15)16-5-3-4-6-17(16)29-2/h3-6,11-12,18H,7-10,13-14H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine?
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine has a molecular weight of 411.47 g/mol, XLogP of 1.36, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine is sourced from PubChem (CID 155503021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).