(7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C26H24N6O2 — CID 993210

IUPAC(7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2OCc2ccccc2)n2nnnc2N1
InChIInChI=1S/C26H24N6O2/c1-17-10-6-8-14-21(17)28-25(33)23-18(2)27-26-29-30-31-32(26)24(23)20-13-7-9-15-22(20)34-16-19-11-4-3-5-12-19/h3-15,24H,16H2,1-2H3,(H,28,33)(H,27,29,31)/t24-/m1/s1
InChIKeyHWZBNRRJNYXLRX-XMMPIXPASA-N
MW452.52 g/mol
LogP4.49
Rot. Bonds6

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

(7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 993210) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is (7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID993210
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name(7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2OCc2ccccc2)n2nnnc2N1
InChIInChI=1S/C26H24N6O2/c1-17-10-6-8-14-21(17)28-25(33)23-18(2)27-26-29-30-31-32(26)24(23)20-13-7-9-15-22(20)34-16-19-11-4-3-5-12-19/h3-15,24H,16H2,1-2H3,(H,28,33)(H,27,29,31)/t24-/m1/s1
InChIKeyHWZBNRRJNYXLRX-XMMPIXPASA-N
XLogP4.49
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(2-methylphenyl)-7-[2-[(4-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135827189
7-(2-methoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5062310
(7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1191082
5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2952547
(7R)-5-methyl-7-(2-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136828848
N-(2,3-dimethylphenyl)-5-methyl-7-(2-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662586
(7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136712900
(7R)-5-methyl-N-(2-methylphenyl)-7-[2-[(4-methylphenyl)methoxy]phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136828400
(7S)-N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136842878
(7S)-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1192300
N-(2-methoxyphenyl)-5-methyl-7-(2-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2793241
5-methyl-7-[2-[(4-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135827187

Frequently Asked Questions

What is the IUPAC name of (7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 993210) is (7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2OCc2ccccc2)n2nnnc2N1.
What is the InChIKey of (7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HWZBNRRJNYXLRX-XMMPIXPASA-N. The full InChI is InChI=1S/C26H24N6O2/c1-17-10-6-8-14-21(17)28-25(33)23-18(2)27-26-29-30-31-32(26)24(23)20-13-7-9-15-22(20)34-16-19-11-4-3-5-12-19/h3-15,24H,16H2,1-2H3,(H,28,33)(H,27,29,31)/t24-/m1/s1.
What are the key properties of (7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-methyl-N-(2-methylphenyl)-7-(2-phenylmethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 993210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).