2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol

C12H12F2N4O — CID 134158221

IUPAC2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1ccnc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12F2N4O/c13-9-2-1-8(7-10(9)14)17-12-16-4-3-11(18-12)15-5-6-19/h1-4,7,19H,5-6H2,(H2,15,16,17,18)
InChIKeyFPBMWXUQBZXXDH-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.90
Rot. Bonds5

About 2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol

2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol (PubChem CID 134158221) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol
PubChem CID134158221
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1ccnc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12F2N4O/c13-9-2-1-8(7-10(9)14)17-12-16-4-3-11(18-12)15-5-6-19/h1-4,7,19H,5-6H2,(H2,15,16,17,18)
InChIKeyFPBMWXUQBZXXDH-UHFFFAOYSA-N
XLogP1.90
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

2-N-(3,4-difluorophenyl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883331
4-N-(4-tert-butylphenyl)-2-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112903406
2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889271
2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol
CID 117086718
2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906684
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906
2-N-(3-chloro-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881848
5-[[2-(3-fluoro-4-methylanilino)pyrimidin-4-yl]amino]-2-methylphenol
CID 44532553
4-N-[2-(4-chlorophenyl)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112897068
4-N-(4-bromo-2-methylphenyl)-2-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906391
N-(4-tert-butylphenyl)-2-(3,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109316431
2-N-(4-fluorophenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900364

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol (CID 134158221) is 2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol is OCCNc1ccnc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is FPBMWXUQBZXXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c13-9-2-1-8(7-10(9)14)17-12-16-4-3-11(18-12)15-5-6-19/h1-4,7,19H,5-6H2,(H2,15,16,17,18).
What are the key properties of 2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol?
2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 266.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 134158221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).