2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile

C12H10FN5O — CID 82684581

IUPAC2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile
SMILESCOc1c(N)ncnc1Nc1ccc(F)cc1C#N
InChIInChI=1S/C12H10FN5O/c1-19-10-11(15)16-6-17-12(10)18-9-3-2-8(13)4-7(9)5-14/h2-4,6H,1H3,(H3,15,16,17,18)
InChIKeyWFORCUIPGIJPHZ-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.82
Rot. Bonds3

About 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile

2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile (PubChem CID 82684581) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile
PubChem CID82684581
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile
SMILESCOc1c(N)ncnc1Nc1ccc(F)cc1C#N
InChIInChI=1S/C12H10FN5O/c1-19-10-11(15)16-6-17-12(10)18-9-3-2-8(13)4-7(9)5-14/h2-4,6H,1H3,(H3,15,16,17,18)
InChIKeyWFORCUIPGIJPHZ-UHFFFAOYSA-N
XLogP1.82
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-chloro-5-fluorophenyl)-5-methoxypyrimidine-4,6-diamine
CID 107531835
2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile
CID 102987010
5-bromo-2-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 82713129
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902
5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
CID 82683530
5-methoxy-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647101
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
CID 82016657
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-5-bromobenzonitrile
CID 82713314
4-N-(4-fluoro-2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 80804524
methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate
CID 114407384
4-N-(2-chloro-5-iodophenyl)-5-methoxypyrimidine-4,6-diamine
CID 114261697

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile?
The IUPAC name of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile (CID 82684581) is 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile is COc1c(N)ncnc1Nc1ccc(F)cc1C#N.
What is the InChIKey of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile?
The InChIKey is WFORCUIPGIJPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-19-10-11(15)16-6-17-12(10)18-9-3-2-8(13)4-7(9)5-14/h2-4,6H,1H3,(H3,15,16,17,18).
What are the key properties of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile?
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile has a molecular weight of 259.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 82684581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).