methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate

C15H17N5O4 — CID 3529804

IUPACmethyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESC=C1Nc2nnnn2C(c2ccc(OC)c(OC)c2)C1C(=O)OC
InChIInChI=1S/C15H17N5O4/c1-8-12(14(21)24-4)13(20-15(16-8)17-18-19-20)9-5-6-10(22-2)11(7-9)23-3/h5-7,12-13H,1H2,2-4H3,(H,16,17,19)
InChIKeyQCZIGMFDUSXGDN-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.01
Rot. Bonds4

About methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate

methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 3529804) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID3529804
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC Namemethyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESC=C1Nc2nnnn2C(c2ccc(OC)c(OC)c2)C1C(=O)OC
InChIInChI=1S/C15H17N5O4/c1-8-12(14(21)24-4)13(20-15(16-8)17-18-19-20)9-5-6-10(22-2)11(7-9)23-3/h5-7,12-13H,1H2,2-4H3,(H,16,17,19)
InChIKeyQCZIGMFDUSXGDN-UHFFFAOYSA-N
XLogP1.01
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl 7-(3-methoxy-4-phenylmethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 3274269
methyl (6S,7R)-7-(4-ethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2233796
7-(3-methoxy-4-phenylmethoxyphenyl)-5-methylidene-N-pyridin-1-ium-3-yl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4608855
7-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5047808
methyl (7S)-7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 694084
methyl (7S)-7-(3,4-dimethoxyphenyl)-5-ethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136776543
methyl 6-benzoyl-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 4200414
(7R)-7-(3,4-dimethoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 993194
(7S)-N-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136772024
2-methoxyethyl (7R)-7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136776632
7-(4-bromophenyl)-5-methylidene-N-phenyl-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3274271
propan-2-yl 7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 5080460

Frequently Asked Questions

What is the IUPAC name of methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate (CID 3529804) is methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate is C=C1Nc2nnnn2C(c2ccc(OC)c(OC)c2)C1C(=O)OC.
What is the InChIKey of methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is QCZIGMFDUSXGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c1-8-12(14(21)24-4)13(20-15(16-8)17-18-19-20)9-5-6-10(22-2)11(7-9)23-3/h5-7,12-13H,1H2,2-4H3,(H,16,17,19).
What are the key properties of methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 331.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(3,4-dimethoxyphenyl)-5-methylidene-6,7-dihydro-4H-tetrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3529804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).