6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H13ClN6O3 — CID 41402654

IUPAC6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Cn2nnn(-c3ccccc3Cl)c2=O)cc(=O)n(C)c1=O
InChIInChI=1S/C14H13ClN6O3/c1-18-9(7-12(22)19(2)13(18)23)8-20-14(24)21(17-16-20)11-6-4-3-5-10(11)15/h3-7H,8H2,1-2H3
InChIKeyQHWMKEJUSUMQQO-UHFFFAOYSA-N
MW348.75 g/mol
LogP-0.47
Rot. Bonds3

About 6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 41402654) has the molecular formula C14H13ClN6O3 and a molecular weight of 348.75 g/mol. Its IUPAC name is 6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID41402654
Molecular FormulaC14H13ClN6O3
Molecular Weight348.75 g/mol
Exact Mass348.07
IUPAC Name6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Cn2nnn(-c3ccccc3Cl)c2=O)cc(=O)n(C)c1=O
InChIInChI=1S/C14H13ClN6O3/c1-18-9(7-12(22)19(2)13(18)23)8-20-14(24)21(17-16-20)11-6-4-3-5-10(11)15/h3-7H,8H2,1-2H3
InChIKeyQHWMKEJUSUMQQO-UHFFFAOYSA-N
XLogP-0.47
TPSA96.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Fentrazamide
CID 3081363
N-(2-chlorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 2054164
Uracil, 1-(p-chlorophenyl)-3,6-dimethyl-5-dimethylamino-
CID 208433
1-Piperazinecarboxamide, 4-(2-chlorophenyl)-N-((dimethylamino)carbonyl)-N-methyl-
CID 3066944
1-(2-Chlorophenyl)-4-prop-2-enyltetrazol-5-one
CID 44423706
1-(2-chloro-4-fluorophenyl)-4-methyl-5H-tetrazol-5-one
CID 58287163
4-(2,6-dichlorophenyl)-N-ethyl-N-(2-fluorophenyl)-5-oxotetrazole-1-carboxamide
CID 58501970
4-(2-chlorophenyl)-N-(2-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
CID 58502043
N-(2-chloro-6-fluorophenyl)-4-(2,6-difluorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide
CID 58502311
N-(2-chlorophenyl)-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
CID 58502366
4-(2-chlorophenyl)-N-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
CID 58502392
4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
CID 70181472

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 41402654) is 6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(Cn2nnn(-c3ccccc3Cl)c2=O)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QHWMKEJUSUMQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O3/c1-18-9(7-12(22)19(2)13(18)23)8-20-14(24)21(17-16-20)11-6-4-3-5-10(11)15/h3-7H,8H2,1-2H3.
What are the key properties of 6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 348.75 g/mol, XLogP of -0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 41402654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).