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

C18H18N6O3S — CID 135763761

IUPAC(7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2cccs2)c1
InChIInChI=1S/C18H18N6O3S/c1-10-15(17(25)20-12-9-11(26-2)6-7-13(12)27-3)16(14-5-4-8-28-14)24-18(19-10)21-22-23-24/h4-9,16H,1-3H3,(H,20,25)(H,19,21,23)/t16-/m0/s1
InChIKeyJRUAETXRAWROSP-INIZCTEOSA-N
MW398.45 g/mol
LogP2.68
Rot. Bonds5

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

(7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135763761) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is (7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135763761
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC Name(7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2cccs2)c1
InChIInChI=1S/C18H18N6O3S/c1-10-15(17(25)20-12-9-11(26-2)6-7-13(12)27-3)16(14-5-4-8-28-14)24-18(19-10)21-22-23-24/h4-9,16H,1-3H3,(H,20,25)(H,19,21,23)/t16-/m0/s1
InChIKeyJRUAETXRAWROSP-INIZCTEOSA-N
XLogP2.68
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135744496
(7S)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135575631
5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805136
(7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136865687
(7S)-N-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136772024
N-(4-chlorophenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3243686
(7S)-7-(2,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135737236
methyl (7S)-6-(4-methoxybenzoyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137075566
(7R)-7-(3,4-dimethoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 993194
(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 (7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135763761) is (7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2cccs2)c1.
What is the InChIKey of (7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is JRUAETXRAWROSP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-10-15(17(25)20-12-9-11(26-2)6-7-13(12)27-3)16(14-5-4-8-28-14)24-18(19-10)21-22-23-24/h4-9,16H,1-3H3,(H,20,25)(H,19,21,23)/t16-/m0/s1.
What are the key properties of (7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135763761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).