6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide

C25H23FN8O2 — CID 58686235

IUPAC6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide
SMILESCc1cc(CNC(=O)c2cc(C(=O)NC3CCCc4cc(-c5nn[nH]n5)ccc43)ncn2)ccc1F
InChIInChI=1S/C25H23FN8O2/c1-14-9-15(5-8-19(14)26)12-27-24(35)21-11-22(29-13-28-21)25(36)30-20-4-2-3-16-10-17(6-7-18(16)20)23-31-33-34-32-23/h5-11,13,20H,2-4,12H2,1H3,(H,27,35)(H,30,36)(H,31,32,33,34)
InChIKeyAWIGSHATXBHFKY-UHFFFAOYSA-N
MW486.51 g/mol
LogP2.84
Rot. Bonds6

About 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide

6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide (PubChem CID 58686235) has the molecular formula C25H23FN8O2 and a molecular weight of 486.51 g/mol. Its IUPAC name is 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide
PubChem CID58686235
Molecular FormulaC25H23FN8O2
Molecular Weight486.51 g/mol
Exact Mass486.19
IUPAC Name6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide
SMILESCc1cc(CNC(=O)c2cc(C(=O)NC3CCCc4cc(-c5nn[nH]n5)ccc43)ncn2)ccc1F
InChIInChI=1S/C25H23FN8O2/c1-14-9-15(5-8-19(14)26)12-27-24(35)21-11-22(29-13-28-21)25(36)30-20-4-2-3-16-10-17(6-7-18(16)20)23-31-33-34-32-23/h5-11,13,20H,2-4,12H2,1H3,(H,27,35)(H,30,36)(H,31,32,33,34)
InChIKeyAWIGSHATXBHFKY-UHFFFAOYSA-N
XLogP2.84
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[(1S)-1-phenylethyl]-6-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 58916818
(R)-N-(2-((2-aminopropanamido)methyl)-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393576
4-N-[(1R)-1-phenylethyl]-6-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 58916802
5-(2-fluoro-5-(pyrimidin-2-yl)-4-(trifluoromethyl)benzamido)-1-(4-fluorophenyl)-N-methyl-1H-pyrazole-3-carboxamide
CID 118408794
US10253018, Example 40
CID 138525711
US10253018, Example 41B
CID 138525731
5-(2-naphthyl)-N-propyl-2-[3-(trifluoromethyl)-2-pyridyl]pyrazole-3-carboxamide
CID 15956866
[(3aS,9bR)-7-fluoro-1-[(3-pyrimidin-2-ylphenyl)methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]indazol-2-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 177653729
[(3aS,9bR)-7-fluoro-1-[(3-pyrimidin-2-ylphenyl)methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]indazol-2-yl]-(1-methylpyrazol-3-yl)methanone
CID 177657187
N-cyclohexyl-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
CID 3740882
5-(2-naphthyl)-N-propyl-2-(2-pyridyl)pyrazole-3-carboxamide
CID 15956861
4-N-[(4-fluoro-3-methylphenyl)methyl]-6-N-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 10005253

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide (CID 58686235) is 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide is Cc1cc(CNC(=O)c2cc(C(=O)NC3CCCc4cc(-c5nn[nH]n5)ccc43)ncn2)ccc1F.
What is the InChIKey of 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide?
The InChIKey is AWIGSHATXBHFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O2/c1-14-9-15(5-8-19(14)26)12-27-24(35)21-11-22(29-13-28-21)25(36)30-20-4-2-3-16-10-17(6-7-18(16)20)23-31-33-34-32-23/h5-11,13,20H,2-4,12H2,1H3,(H,27,35)(H,30,36)(H,31,32,33,34).
What are the key properties of 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide?
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide has a molecular weight of 486.51 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 58686235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).