(7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C19H20N6O4 — CID 135575631

IUPAC(7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(C)o2)c1
InChIInChI=1S/C19H20N6O4/c1-10-5-7-15(29-10)17-16(11(2)20-19-22-23-24-25(17)19)18(26)21-13-9-12(27-3)6-8-14(13)28-4/h5-9,17H,1-4H3,(H,21,26)(H,20,22,24)/t17-/m1/s1
InChIKeyQGNIPMDPOUGSCD-QGZVFWFLSA-N
MW396.41 g/mol
LogP2.52
Rot. Bonds5

About (7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

(7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135575631) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is (7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135575631
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name(7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(C)o2)c1
InChIInChI=1S/C19H20N6O4/c1-10-5-7-15(29-10)17-16(11(2)20-19-22-23-24-25(17)19)18(26)21-13-9-12(27-3)6-8-14(13)28-4/h5-9,17H,1-4H3,(H,21,26)(H,20,22,24)/t17-/m1/s1
InChIKeyQGNIPMDPOUGSCD-QGZVFWFLSA-N
XLogP2.52
TPSA116.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3160947
(7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135763761
(7S)-N-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136772024
methyl (7S)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135759567
(7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136865687
(7S)-7-(2,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135737236
7-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805570
(7R)-7-(3,4-dimethoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 993194
methyl (7R)-7-(2,4-dimethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 696129
(7S)-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136842878
(7S)-7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181419
(7R)-7-(4-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1191094

Frequently Asked Questions

What is the IUPAC name of (7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135575631) is (7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(C)o2)c1.
What is the InChIKey of (7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QGNIPMDPOUGSCD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-10-5-7-15(29-10)17-16(11(2)20-19-22-23-24-25(17)19)18(26)21-13-9-12(27-3)6-8-14(13)28-4/h5-9,17H,1-4H3,(H,21,26)(H,20,22,24)/t17-/m1/s1.
What are the key properties of (7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
(7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135575631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).