1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea

C12H10F2N4O — CID 63062599

IUPAC1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea
SMILESNc1cnccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H10F2N4O/c13-7-1-2-10(8(14)5-7)17-12(19)18-11-3-4-16-6-9(11)15/h1-6H,15H2,(H2,16,17,18,19)
InChIKeyBEKYCSPHDSHXDQ-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.59
Rot. Bonds2

About 1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea

1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea (PubChem CID 63062599) has the molecular formula C12H10F2N4O and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea
PubChem CID63062599
Molecular FormulaC12H10F2N4O
Molecular Weight264.24 g/mol
Exact Mass264.08
IUPAC Name1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea
SMILESNc1cnccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H10F2N4O/c13-7-1-2-10(8(14)5-7)17-12(19)18-11-3-4-16-6-9(11)15/h1-6H,15H2,(H2,16,17,18,19)
InChIKeyBEKYCSPHDSHXDQ-UHFFFAOYSA-N
XLogP2.59
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
CID 970790
N-(2,4-difluorophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255920
1-(3-amino-4-pyridinyl)-3-phenylurea
CID 63061923
N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 55148535
1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 107334345
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 63063127
N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide
CID 63061741
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea (CID 63062599) is 1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea is Nc1cnccc1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea?
The InChIKey is BEKYCSPHDSHXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O/c13-7-1-2-10(8(14)5-7)17-12(19)18-11-3-4-16-6-9(11)15/h1-6H,15H2,(H2,16,17,18,19).
What are the key properties of 1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea?
1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea has a molecular weight of 264.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 63062599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).