methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate

C20H29N7O4 — CID 68775137

IUPACmethyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2nnn(CC3CCC(NC(=O)OC(C)(C)C)CC3)n2)nc(C)n1
InChIInChI=1S/C20H29N7O4/c1-12-21-15(10-16(22-12)18(28)30-5)17-24-26-27(25-17)11-13-6-8-14(9-7-13)23-19(29)31-20(2,3)4/h10,13-14H,6-9,11H2,1-5H3,(H,23,29)
InChIKeyXIABWZODXGIQQA-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.31
Rot. Bonds5

About methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate

methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate (PubChem CID 68775137) has the molecular formula C20H29N7O4 and a molecular weight of 431.50 g/mol. Its IUPAC name is methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate
PubChem CID68775137
Molecular FormulaC20H29N7O4
Molecular Weight431.50 g/mol
Exact Mass431.23
IUPAC Namemethyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2nnn(CC3CCC(NC(=O)OC(C)(C)C)CC3)n2)nc(C)n1
InChIInChI=1S/C20H29N7O4/c1-12-21-15(10-16(22-12)18(28)30-5)17-24-26-27(25-17)11-13-6-8-14(9-7-13)23-19(29)31-20(2,3)4/h10,13-14H,6-9,11H2,1-5H3,(H,23,29)
InChIKeyXIABWZODXGIQQA-UHFFFAOYSA-N
XLogP2.31
TPSA134.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate with MolForge

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Related Compounds

tert-butyl N-[(1R)-3-[[5-[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]tetrazol-2-yl]methyl]cyclopentyl]carbamate
CID 143754080
tert-butyl N-[4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexyl]carbamate
CID 23298141
methyl 5-bromo-2-methyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]benzoate
CID 161298109
ethyl 3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylamino]benzoate
CID 156761076
tert-butyl N-[4-[[3-[6-[[3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4-fluorophenyl]methylcarbamoyl]-2-methylpyrimidin-4-yl]-1,2,4-triazol-1-yl]methyl]cyclohexyl]carbamate
CID 141231947
6-[2-[(4-cyanocyclohexyl)methyl]tetrazol-5-yl]-N-[[4-fluoro-3-(2-hydroxyethoxy)phenyl]methyl]-2-methylpyrimidine-4-carboxamide
CID 70267829
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl (2S)-2-[[5-[6-[(3-ethyl-4-fluorophenyl)methylcarbamoyl]-2-methylpyrimidin-4-yl]tetrazol-2-yl]methyl]morpholine-4-carboxylate
CID 141231984
methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
CID 67218078
tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate
CID 133410404
methyl 5-chloro-2-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxybenzoate
CID 90273062
tert-butyl N-[4-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]carbamate
CID 113240121

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate (CID 68775137) is methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate is COC(=O)c1cc(-c2nnn(CC3CCC(NC(=O)OC(C)(C)C)CC3)n2)nc(C)n1.
What is the InChIKey of methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate?
The InChIKey is XIABWZODXGIQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O4/c1-12-21-15(10-16(22-12)18(28)30-5)17-24-26-27(25-17)11-13-6-8-14(9-7-13)23-19(29)31-20(2,3)4/h10,13-14H,6-9,11H2,1-5H3,(H,23,29).
What are the key properties of methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate?
methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate has a molecular weight of 431.50 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]tetrazol-5-yl]pyrimidine-4-carboxylate is sourced from PubChem (CID 68775137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).