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

C14H15FN6 — CID 80797148

IUPAC5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile
SMILESCCCNc1cc(Nc2ccc(F)c(C#N)c2)nc(N)n1
InChIInChI=1S/C14H15FN6/c1-2-5-18-12-7-13(21-14(17)20-12)19-10-3-4-11(15)9(6-10)8-16/h3-4,6-7H,2,5H2,1H3,(H4,17,18,19,20,21)
InChIKeyCVLFHIFVZCNQEU-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.64
Rot. Bonds5

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

5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile (PubChem CID 80797148) has the molecular formula C14H15FN6 and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile
PubChem CID80797148
Molecular FormulaC14H15FN6
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile
SMILESCCCNc1cc(Nc2ccc(F)c(C#N)c2)nc(N)n1
InChIInChI=1S/C14H15FN6/c1-2-5-18-12-7-13(21-14(17)20-12)19-10-3-4-11(15)9(6-10)8-16/h3-4,6-7H,2,5H2,1H3,(H4,17,18,19,20,21)
InChIKeyCVLFHIFVZCNQEU-UHFFFAOYSA-N
XLogP2.64
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 80908581
4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
CID 107795039
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80760760
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-5-bromobenzonitrile
CID 82698177
4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80759731
4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile
CID 107794996
4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80787761
4-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80842205
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
2-fluoro-4-(propylamino)benzonitrile
CID 115366947
4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
CID 107794960
5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile
CID 102757849

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile?
The IUPAC name of 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile (CID 80797148) is 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile is CCCNc1cc(Nc2ccc(F)c(C#N)c2)nc(N)n1.
What is the InChIKey of 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile?
The InChIKey is CVLFHIFVZCNQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6/c1-2-5-18-12-7-13(21-14(17)20-12)19-10-3-4-11(15)9(6-10)8-16/h3-4,6-7H,2,5H2,1H3,(H4,17,18,19,20,21).
What are the key properties of 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile?
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile has a molecular weight of 286.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile is sourced from PubChem (CID 80797148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).