carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid

C40H60N6O8 — CID 157232427

IUPACcarbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid
SMILESC.C.C.CC(C)c1ccccn1.CC(C)c1cnccc1C(=O)O.COC(=O)c1cc(C)nc(C(C)C)n1.Cc1cc(C(=O)O)nc(C(C)C)n1.O=C=O
InChIInChI=1S/C10H14N2O2.C9H12N2O2.C9H11NO2.C8H11N.CO2.3CH4/c1-6(2)9-11-7(3)5-8(12-9)10(13)14-4;1-5(2)8-10-6(3)4-7(11-8)9(12)13;1-6(2)8-5-10-4-3-7(8)9(11)12;1-7(2)8-5-3-4-6-9-8;2-1-3;;;/h5-6H,1-4H3;4-5H,1-3H3,(H,12,13);3-6H,1-2H3,(H,11,12);3-7H,1-2H3;;3*1H4
InChIKeyAUGCWIBWGNBLTD-UHFFFAOYSA-N
MW752.95 g/mol
LogP8.73
Rot. Bonds7

About carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid

carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 157232427) has the molecular formula C40H60N6O8 and a molecular weight of 752.95 g/mol. Its IUPAC name is carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Namecarbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid
PubChem CID157232427
Molecular FormulaC40H60N6O8
Molecular Weight752.95 g/mol
Exact Mass752.45
IUPAC Namecarbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid
SMILESC.C.C.CC(C)c1ccccn1.CC(C)c1cnccc1C(=O)O.COC(=O)c1cc(C)nc(C(C)C)n1.Cc1cc(C(=O)O)nc(C(C)C)n1.O=C=O
InChIInChI=1S/C10H14N2O2.C9H12N2O2.C9H11NO2.C8H11N.CO2.3CH4/c1-6(2)9-11-7(3)5-8(12-9)10(13)14-4;1-5(2)8-10-6(3)4-7(11-8)9(12)13;1-6(2)8-5-10-4-3-7(8)9(11)12;1-7(2)8-5-3-4-6-9-8;2-1-3;;;/h5-6H,1-4H3;4-5H,1-3H3,(H,12,13);3-6H,1-2H3,(H,11,12);3-7H,1-2H3;;3*1H4
InChIKeyAUGCWIBWGNBLTD-UHFFFAOYSA-N
XLogP8.73
TPSA212.38 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500752.95
LogP ≤ 58.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 4-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate
CID 68261349
methyl 4-[[2-[(3Z)-5-chloro-2-fluorohexa-1,3,5-trien-3-yl]-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate
CID 144234810
2-Cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;hexakis(2-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 157896763
Ethyl 6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4-carboxylate;[6-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]methanol
CID 158960566
lithium;methyl (E)-3-[2-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2-pyrimidin-5-ylprop-2-enoate;(E)-3-[2-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2-pyrimidin-5-ylprop-2-enoic acid;hydroxide
CID 159126491
Methyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate;[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol
CID 161336147
6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxylic acid
CID 166549947
methyl 6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxylate
CID 167270521
Benzyl 2-pyridin-2-ylpyrimidine-4-carboxylate
CID 135026702
Di-2-(pyridyl)methyl 1,8-naphthyridine-2,7-dicarboxylate
CID 168340350
6-[2-[4-(2,6-Difluoro-3-pyridinyl)pyrimidin-2-yl]propan-2-yl]pyridine-2-carboxylic acid
CID 59399063
6-[[6-(2,6-Difluoro-3-pyridinyl)-2-pyridinyl]-pyridin-4-ylamino]pyridine-2-carboxylic acid
CID 59399209

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid (CID 157232427) is carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid is C.C.C.CC(C)c1ccccn1.CC(C)c1cnccc1C(=O)O.COC(=O)c1cc(C)nc(C(C)C)n1.Cc1cc(C(=O)O)nc(C(C)C)n1.O=C=O.
What is the InChIKey of carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is AUGCWIBWGNBLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.C9H12N2O2.C9H11NO2.C8H11N.CO2.3CH4/c1-6(2)9-11-7(3)5-8(12-9)10(13)14-4;1-5(2)8-10-6(3)4-7(11-8)9(12)13;1-6(2)8-5-10-4-3-7(8)9(11)12;1-7(2)8-5-3-4-6-9-8;2-1-3;;;/h5-6H,1-4H3;4-5H,1-3H3,(H,12,13);3-6H,1-2H3,(H,11,12);3-7H,1-2H3;;3*1H4.
What are the key properties of carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid?
carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 752.95 g/mol, XLogP of 8.73, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methane;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-propan-2-ylpyridine;3-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 157232427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).