4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine

C15H12F2N6 — CID 19145503

IUPAC4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccnc2)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C15H12F2N6/c16-9-3-4-11(17)12(6-9)23-15-13(18)14(20-8-21-15)22-10-2-1-5-19-7-10/h1-8H,18H2,(H2,20,21,22,23)
InChIKeyIPXVXLPIOYYWTR-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.22
Rot. Bonds4

About 4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine

4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine (PubChem CID 19145503) has the molecular formula C15H12F2N6 and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
PubChem CID19145503
Molecular FormulaC15H12F2N6
Molecular Weight314.30 g/mol
Exact Mass314.11
IUPAC Name4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccnc2)ncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C15H12F2N6/c16-9-3-4-11(17)12(6-9)23-15-13(18)14(20-8-21-15)22-10-2-1-5-19-7-10/h1-8H,18H2,(H2,20,21,22,23)
InChIKeyIPXVXLPIOYYWTR-UHFFFAOYSA-N
XLogP3.22
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151926
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22540968
1-[3-[[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547532
4-[[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19153865
4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149262
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152923
6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145481
6-(2,2-diphenylhydrazinyl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145412

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine (CID 19145503) is 4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine is Nc1c(Nc2cccnc2)ncnc1Nc1cc(F)ccc1F.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The InChIKey is IPXVXLPIOYYWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N6/c16-9-3-4-11(17)12(6-9)23-15-13(18)14(20-8-21-15)22-10-2-1-5-19-7-10/h1-8H,18H2,(H2,20,21,22,23).
What are the key properties of 4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine has a molecular weight of 314.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19145503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).