4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide

C16H16N8O2 — CID 143272971

IUPAC4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
SMILESCCc1cc(-c2nn[nH]n2)ccc1CNC(=O)c1cc(C(N)=O)ncn1
InChIInChI=1S/C16H16N8O2/c1-2-9-5-10(15-21-23-24-22-15)3-4-11(9)7-18-16(26)13-6-12(14(17)25)19-8-20-13/h3-6,8H,2,7H2,1H3,(H2,17,25)(H,18,26)(H,21,22,23,24)
InChIKeyJFEJQOUDIIXPFL-UHFFFAOYSA-N
MW352.36 g/mol
LogP0.25
Rot. Bonds6

About 4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide

4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide (PubChem CID 143272971) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
PubChem CID143272971
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
SMILESCCc1cc(-c2nn[nH]n2)ccc1CNC(=O)c1cc(C(N)=O)ncn1
InChIInChI=1S/C16H16N8O2/c1-2-9-5-10(15-21-23-24-22-15)3-4-11(9)7-18-16(26)13-6-12(14(17)25)19-8-20-13/h3-6,8H,2,7H2,1H3,(H2,17,25)(H,18,26)(H,21,22,23,24)
InChIKeyJFEJQOUDIIXPFL-UHFFFAOYSA-N
XLogP0.25
TPSA152.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-[(1-methylpyrazol-4-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686152
N-[(4-fluoro-3-methylphenyl)methyl]-6-[2-[[4-(2H-tetrazol-5-yl)phenyl]methylamino]ethyl]pyrimidine-4-carboxamide
CID 143602052
6-N-[(4-fluorophenyl)methyl]-4-N-[(1R)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58687132
6-N-[(4-isocyanophenyl)methyl]-4-N-[(3-methoxyphenyl)methyl]pyrimidine-4,6-dicarboxamide;4-N-[(3-methoxyphenyl)methyl]-6-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 162153529
4-N-[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidine-4,6-dicarboxamide
CID 58916816
methyl 6-[[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]carbamoyl]pyrimidine-4-carboxylate
CID 58916770
6-N-[(5-methylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686508
6-N-[[3-(difluoromethoxy)phenyl]methyl]-4-N-[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyrimidine-4,6-dicarboxamide
CID 25005748
4-N-[(1S)-3,3-difluoro-5-(2H-tetrazol-5-yl)-1,2-dihydroinden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 58687072
6-N-[(4-fluoro-3-methoxyphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 11677530
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686649
6-N-[[3-[[(2-amino-3,4-dioxocyclobuten-1-yl)amino]methyl]phenyl]methyl]-4-N-[(1R)-2-amino-2-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyrimidine-4,6-dicarboxamide
CID 58916785

Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide (CID 143272971) is 4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide is CCc1cc(-c2nn[nH]n2)ccc1CNC(=O)c1cc(C(N)=O)ncn1.
What is the InChIKey of 4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
The InChIKey is JFEJQOUDIIXPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2/c1-2-9-5-10(15-21-23-24-22-15)3-4-11(9)7-18-16(26)13-6-12(14(17)25)19-8-20-13/h3-6,8H,2,7H2,1H3,(H2,17,25)(H,18,26)(H,21,22,23,24).
What are the key properties of 4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide has a molecular weight of 352.36 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[2-ethyl-4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 143272971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).