2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide

C15H17FN4O — CID 134467314

IUPAC2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide
SMILESCNc1ncc(-c2ccc(F)c(C(N)=O)c2)c(C(C)C)n1
InChIInChI=1S/C15H17FN4O/c1-8(2)13-11(7-19-15(18-3)20-13)9-4-5-12(16)10(6-9)14(17)21/h4-8H,1-3H3,(H2,17,21)(H,18,19,20)
InChIKeyPLIPSCYTLGPPIF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.55
Rot. Bonds4

About 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide

2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide (PubChem CID 134467314) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide
PubChem CID134467314
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide
SMILESCNc1ncc(-c2ccc(F)c(C(N)=O)c2)c(C(C)C)n1
InChIInChI=1S/C15H17FN4O/c1-8(2)13-11(7-19-15(18-3)20-13)9-4-5-12(16)10(6-9)14(17)21/h4-8H,1-3H3,(H2,17,21)(H,18,19,20)
InChIKeyPLIPSCYTLGPPIF-UHFFFAOYSA-N
XLogP2.55
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[2-[2-(2-hydroxyethoxy)ethylamino]-4-propan-2-ylpyrimidin-5-yl]benzamide
CID 144668009
2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide
CID 90322943
2-fluoro-5-[4-methyl-2-(4-oxopiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 90323012
4-(3,3-dimethylbutan-2-ylamino)-2-(methylamino)pyrimidine-5-carboxamide
CID 58008559
tert-butyl N-[1-[5-(3-carbamoyl-4-fluorophenyl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]carbamate
CID 71185281
5-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 134623243
2-fluoro-5-pyridin-4-ylbenzamide
CID 46315517
2-(3-bromo-4-fluorophenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 82801577
2-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide
CID 170960592
5-[2-(cyclopropylmethylamino)-4-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyrimidin-5-yl]-2-fluorobenzamide
CID 157328275
5-[2-(cyclopropylmethylamino)-4-[1-[[2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluorobenzamide
CID 90281384
ethane;2-fluoro-5-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-methyl-3-pyridinyl]benzamide
CID 144693916

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide?
The IUPAC name of 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide (CID 134467314) is 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide?
The canonical SMILES for 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide is CNc1ncc(-c2ccc(F)c(C(N)=O)c2)c(C(C)C)n1.
What is the InChIKey of 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide?
The InChIKey is PLIPSCYTLGPPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-8(2)13-11(7-19-15(18-3)20-13)9-4-5-12(16)10(6-9)14(17)21/h4-8H,1-3H3,(H2,17,21)(H,18,19,20).
What are the key properties of 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide?
2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide has a molecular weight of 288.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide is sourced from PubChem (CID 134467314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).