[2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone

C16H17FN4O — CID 154779946

IUPAC[2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
SMILESCNc1nc(C)cc(C(=O)N2CCC2c2ccccc2F)n1
InChIInChI=1S/C16H17FN4O/c1-10-9-13(20-16(18-2)19-10)15(22)21-8-7-14(21)11-5-3-4-6-12(11)17/h3-6,9,14H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyTVGGCLJBVNWCMW-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.55
Rot. Bonds3

About [2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone

[2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone (PubChem CID 154779946) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is [2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
PubChem CID154779946
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name[2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
SMILESCNc1nc(C)cc(C(=O)N2CCC2c2ccccc2F)n1
InChIInChI=1S/C16H17FN4O/c1-10-9-13(20-16(18-2)19-10)15(22)21-8-7-14(21)11-5-3-4-6-12(11)17/h3-6,9,14H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyTVGGCLJBVNWCMW-UHFFFAOYSA-N
XLogP2.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2R,5R)-2-methyl-5-phenylmorpholin-4-yl]methanone
CID 124736013
[6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone
CID 124736015
[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109336761
[(2S)-2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
CID 125140633
3,4-dihydro-2H-quinolin-1-yl-[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109335577
6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide
CID 100678434
[(2R)-2-(2-fluorophenyl)azetidin-1-yl]-[6-(5-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178095312
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid
CID 107553354
[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109335606
[4-(2-fluorophenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319319
(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
CID 138012732
[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109330682

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone?
The IUPAC name of [2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone (CID 154779946) is [2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for [2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for [2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone is CNc1nc(C)cc(C(=O)N2CCC2c2ccccc2F)n1.
What is the InChIKey of [2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone?
The InChIKey is TVGGCLJBVNWCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-10-9-13(20-16(18-2)19-10)15(22)21-8-7-14(21)11-5-3-4-6-12(11)17/h3-6,9,14H,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of [2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone?
[2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone has a molecular weight of 300.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)azetidin-1-yl]-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 154779946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).