methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate

C11H13N7O3 — CID 164692154

IUPACmethyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cncnc1N1CCOC(c2nn[nH]n2)C1
InChIInChI=1S/C11H13N7O3/c1-20-11(19)7-4-12-6-13-10(7)18-2-3-21-8(5-18)9-14-16-17-15-9/h4,6,8H,2-3,5H2,1H3,(H,14,15,16,17)
InChIKeyGJJBWPBPSRNTIY-UHFFFAOYSA-N
MW291.27 g/mol
LogP-0.65
Rot. Bonds3

About methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate

methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate (PubChem CID 164692154) has the molecular formula C11H13N7O3 and a molecular weight of 291.27 g/mol. Its IUPAC name is methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate
PubChem CID164692154
Molecular FormulaC11H13N7O3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Namemethyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cncnc1N1CCOC(c2nn[nH]n2)C1
InChIInChI=1S/C11H13N7O3/c1-20-11(19)7-4-12-6-13-10(7)18-2-3-21-8(5-18)9-14-16-17-15-9/h4,6,8H,2-3,5H2,1H3,(H,14,15,16,17)
InChIKeyGJJBWPBPSRNTIY-UHFFFAOYSA-N
XLogP-0.65
TPSA119.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-5-carboxylate
CID 114214390
methyl 4-[3-(oxetan-3-ylamino)azetidin-1-yl]pyrimidine-5-carboxylate
CID 154788139
methyl 4-(3,3-dimethylpiperidin-1-yl)pyrimidine-5-carboxylate
CID 114214438
methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 115538646
methyl 4-(2,4-dimethyl-1,4-diazepan-1-yl)pyrimidine-5-carboxylate
CID 114214778
6-cyclopentyl-2-methoxy-3-[2-(2H-tetrazol-5-yl)morpholine-4-carbonyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157013025
[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 157012718
ethyl 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidine-5-carboxylate
CID 108772770
ethyl 2-[(2R)-2-phenylmorpholin-4-yl]pyridine-3-carboxylate
CID 94179717
methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate
CID 79771135
methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
CID 79770247
methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 165472274

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate (CID 164692154) is methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate is COC(=O)c1cncnc1N1CCOC(c2nn[nH]n2)C1.
What is the InChIKey of methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate?
The InChIKey is GJJBWPBPSRNTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O3/c1-20-11(19)7-4-12-6-13-10(7)18-2-3-21-8(5-18)9-14-16-17-15-9/h4,6,8H,2-3,5H2,1H3,(H,14,15,16,17).
What are the key properties of methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate?
methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate has a molecular weight of 291.27 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2H-tetrazol-5-yl)morpholin-4-yl]pyrimidine-5-carboxylate is sourced from PubChem (CID 164692154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).