ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate

C25H27N7O3 — CID 54569667

IUPACethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1N(CCOC)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H27N7O3/c1-4-35-25(33)22-15-26-17(2)27-24(22)32(13-14-34-3)16-18-9-11-19(12-10-18)20-7-5-6-8-21(20)23-28-30-31-29-23/h5-12,15H,4,13-14,16H2,1-3H3,(H,28,29,30,31)
InChIKeyZWIPWHWSSVRXLL-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.46
Rot. Bonds10

About ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate

ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate (PubChem CID 54569667) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate
PubChem CID54569667
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Nameethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1N(CCOC)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H27N7O3/c1-4-35-25(33)22-15-26-17(2)27-24(22)32(13-14-34-3)16-18-9-11-19(12-10-18)20-7-5-6-8-21(20)23-28-30-31-29-23/h5-12,15H,4,13-14,16H2,1-3H3,(H,28,29,30,31)
InChIKeyZWIPWHWSSVRXLL-UHFFFAOYSA-N
XLogP3.46
TPSA119.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate
CID 10254184
ethyl 4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 19791796
2-methyl-4-[2-methylpropyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid
CID 15657901
ethyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylate
CID 15658053
2-[4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-ethylpyrimidin-5-yl]acetic acid
CID 19791728
(2-oxo-5-phenyl-1,3-dioxol-4-yl)methyl 4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylate
CID 19792079
3,6-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-amine
CID 19791902
N-butyl-2-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-amine
CID 19792003
ethyl 2-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 15654719
8-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrido[2,3-b]pyrazine-7-carboxylic acid
CID 67874119
N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-2-amine
CID 15658030
2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]benzoic acid
CID 15657980

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate (CID 54569667) is ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C)nc1N(CCOC)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate?
The InChIKey is ZWIPWHWSSVRXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-4-35-25(33)22-15-26-17(2)27-24(22)32(13-14-34-3)16-18-9-11-19(12-10-18)20-7-5-6-8-21(20)23-28-30-31-29-23/h5-12,15H,4,13-14,16H2,1-3H3,(H,28,29,30,31).
What are the key properties of ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate?
ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate has a molecular weight of 473.54 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-methoxyethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 54569667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).