methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate

C18H19N5O2 — CID 169180367

IUPACmethyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1
InChIInChI=1S/C18H19N5O2/c1-11-19-14(18(24)25-3)8-16(20-11)23-9-12(10-23)17-21-13-6-4-5-7-15(13)22(17)2/h4-8,12H,9-10H2,1-3H3
InChIKeyKMKPLHZJRDMHCD-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.06
Rot. Bonds3

About methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate

methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate (PubChem CID 169180367) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate
PubChem CID169180367
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Namemethyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1
InChIInChI=1S/C18H19N5O2/c1-11-19-14(18(24)25-3)8-16(20-11)23-9-12(10-23)17-21-13-6-4-5-7-15(13)22(17)2/h4-8,12H,9-10H2,1-3H3
InChIKeyKMKPLHZJRDMHCD-UHFFFAOYSA-N
XLogP2.06
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide
CID 74763198
4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one
CID 74762791
1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one
CID 74762991
2-[1-[6-[5-(methoxymethyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
CID 71549409
1-methyl-2-[1-[2-methyl-6-(5-methyltriazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole
CID 89493662
(S)-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]-phenylmethanol
CID 74767416
2-[1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
CID 90386717
cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 118413277
(R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 74767415
2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-1-methylbenzimidazole
CID 89493659
2-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-2-yl]butanoic acid
CID 122444260
2-[1-[6-[5-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
CID 122444146

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate (CID 169180367) is methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate is COC(=O)c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1.
What is the InChIKey of methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate?
The InChIKey is KMKPLHZJRDMHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-19-14(18(24)25-3)8-16(20-11)23-9-12(10-23)17-21-13-6-4-5-7-15(13)22(17)2/h4-8,12H,9-10H2,1-3H3.
What are the key properties of methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate?
methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate is sourced from PubChem (CID 169180367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).