(7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C13H14N6O2 — CID 135968830

IUPAC(7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCNC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)cc1
InChIInChI=1S/C13H14N6O2/c1-7-10(12(21)14-2)11(8-3-5-9(20)6-4-8)19-13(15-7)16-17-18-19/h3-6,11,20H,1-2H3,(H,14,21)(H,15,16,18)/t11-/m0/s1
InChIKeyVIPZIOFQJLVSGJ-NSHDSACASA-N
MW286.30 g/mol
LogP0.41
Rot. Bonds2

About (7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

(7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135968830) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is (7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135968830
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name(7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCNC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)cc1
InChIInChI=1S/C13H14N6O2/c1-7-10(12(21)14-2)11(8-3-5-9(20)6-4-8)19-13(15-7)16-17-18-19/h3-6,11,20H,1-2H3,(H,14,21)(H,15,16,18)/t11-/m0/s1
InChIKeyVIPZIOFQJLVSGJ-NSHDSACASA-N
XLogP0.41
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxyethyl (7S)-7-(4-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135849413
propan-2-yl (7R)-7-(4-hydroxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135930776
ethyl 7-[4-(6-ethoxycarbonyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 154077446
1-[7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2976736
methyl (7S)-5-ethyl-7-(4-hydroxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136776577
1-[7-(4-bromophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 5017425
(7R)-N-benzyl-7-(4-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136743232
(7R)-7-(4-chlorophenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 993218
(7S)-N-benzyl-7-(4-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135845428
methyl (7R)-6-benzoyl-7-(4-hydroxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137059308
(7R)-N-(4-chlorophenyl)-5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136728526
methyl 4-[(7S)-5-methyl-6-(phenylcarbamoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]benzoate
CID 1192308

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135968830) is (7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CNC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)cc1.
What is the InChIKey of (7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VIPZIOFQJLVSGJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H14N6O2/c1-7-10(12(21)14-2)11(8-3-5-9(20)6-4-8)19-13(15-7)16-17-18-19/h3-6,11,20H,1-2H3,(H,14,21)(H,15,16,18)/t11-/m0/s1.
What are the key properties of (7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
(7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(4-hydroxyphenyl)-N,5-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135968830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).