5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C19H20FN7 — CID 168774235

IUPAC5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCn1nnc2ccc(-c3c[nH]c4nc(NCC5(F)CCC5)ncc34)cc21
InChIInChI=1S/C19H20FN7/c1-2-27-16-8-12(4-5-15(16)25-26-27)13-9-21-17-14(13)10-22-18(24-17)23-11-19(20)6-3-7-19/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,21,22,23,24)
InChIKeyBGZIIZYVBFYYRY-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.69
Rot. Bonds5

About 5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168774235) has the molecular formula C19H20FN7 and a molecular weight of 365.42 g/mol. Its IUPAC name is 5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168774235
Molecular FormulaC19H20FN7
Molecular Weight365.42 g/mol
Exact Mass365.18
IUPAC Name5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCn1nnc2ccc(-c3c[nH]c4nc(NCC5(F)CCC5)ncc34)cc21
InChIInChI=1S/C19H20FN7/c1-2-27-16-8-12(4-5-15(16)25-26-27)13-9-21-17-14(13)10-22-18(24-17)23-11-19(20)6-3-7-19/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,21,22,23,24)
InChIKeyBGZIIZYVBFYYRY-UHFFFAOYSA-N
XLogP3.69
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopropyl-2,2-difluoroethyl)-5-(3-ethylbenzotriazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773186
N-[(2S)-butan-2-yl]-5-(3-ethylbenzotriazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773898
N-[(1-fluorocyclobutyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773885
N-[(1-fluorocyclobutyl)methyl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774152
N-[(1-fluorocyclobutyl)methyl]-5-(3-methylbenzotriazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169277829
[3-[[5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]-pyrrolidin-1-ylmethanone
CID 168772929
5-(3-methylbenzotriazol-5-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773982
5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773475
N-[(4,4-difluorocyclohexyl)methyl]-5-[3-(1-methylpiperidin-4-yl)oxyquinoxalin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773260
N,N-dimethyl-4-[[5-(3-methylbenzotriazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 168773252
2,2-dimethyl-7-[2-[(1-methylcyclopropyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3H-chromen-4-one
CID 168772930
N-[(1-methylcyclopropyl)methyl]-5-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168774035

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168774235) is 5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCn1nnc2ccc(-c3c[nH]c4nc(NCC5(F)CCC5)ncc34)cc21.
What is the InChIKey of 5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is BGZIIZYVBFYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7/c1-2-27-16-8-12(4-5-15(16)25-26-27)13-9-21-17-14(13)10-22-18(24-17)23-11-19(20)6-3-7-19/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 365.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylbenzotriazol-5-yl)-N-[(1-fluorocyclobutyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168774235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).