3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine

C19H22N6 — CID 91760537

IUPAC3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine
SMILESCc1nc(C2CC(N)C2)cc(N2CC(c3nc4ccccc4[nH]3)C2)n1
InChIInChI=1S/C19H22N6/c1-11-21-17(12-6-14(20)7-12)8-18(22-11)25-9-13(10-25)19-23-15-4-2-3-5-16(15)24-19/h2-5,8,12-14H,6-7,9-10,20H2,1H3,(H,23,24)
InChIKeyOXZLLQJTQMFOIZ-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.47
Rot. Bonds3

About 3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine

3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91760537) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91760537
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine
SMILESCc1nc(C2CC(N)C2)cc(N2CC(c3nc4ccccc4[nH]3)C2)n1
InChIInChI=1S/C19H22N6/c1-11-21-17(12-6-14(20)7-12)8-18(22-11)25-9-13(10-25)19-23-15-4-2-3-5-16(15)24-19/h2-5,8,12-14H,6-7,9-10,20H2,1H3,(H,23,24)
InChIKeyOXZLLQJTQMFOIZ-UHFFFAOYSA-N
XLogP2.47
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole
CID 166910996
2-[(2R)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 95197903
3-[6-(4,4-difluoropiperidin-1-yl)-2-methylpyrimidin-4-yl]cyclobutan-1-amine
CID 91796183
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
3-[2-methyl-6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91787750
3-[2-methyl-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 171134905
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
2-[1-(3,4-dimethylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505868
2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]ethanone
CID 77097499
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
2-(1-pent-4-ynylazetidin-3-yl)-1H-benzimidazole
CID 148699034

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine (CID 91760537) is 3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine is Cc1nc(C2CC(N)C2)cc(N2CC(c3nc4ccccc4[nH]3)C2)n1.
What is the InChIKey of 3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is OXZLLQJTQMFOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-11-21-17(12-6-14(20)7-12)8-18(22-11)25-9-13(10-25)19-23-15-4-2-3-5-16(15)24-19/h2-5,8,12-14H,6-7,9-10,20H2,1H3,(H,23,24).
What are the key properties of 3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine?
3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 334.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91760537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).