2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile

C14H14FN5 — CID 80793878

IUPAC2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
SMILESCCNc1nc(C)cc(Nc2cccc(F)c2C#N)n1
InChIInChI=1S/C14H14FN5/c1-3-17-14-18-9(2)7-13(20-14)19-12-6-4-5-11(15)10(12)8-16/h4-7H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyIAAHDDWIJUHLAL-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.97
Rot. Bonds4

About 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile

2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile (PubChem CID 80793878) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
PubChem CID80793878
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
SMILESCCNc1nc(C)cc(Nc2cccc(F)c2C#N)n1
InChIInChI=1S/C14H14FN5/c1-3-17-14-18-9(2)7-13(20-14)19-12-6-4-5-11(15)10(12)8-16/h4-7H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyIAAHDDWIJUHLAL-UHFFFAOYSA-N
XLogP2.97
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80792497
4-N-(3-chloro-2-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80762805
4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788165
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802085
2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80808085
2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile
CID 104533044
2-N-ethyl-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80759675
2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112915708
2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
CID 80855581
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile
CID 80792103
2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80801480
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80960789

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile (CID 80793878) is 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile is CCNc1nc(C)cc(Nc2cccc(F)c2C#N)n1.
What is the InChIKey of 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile?
The InChIKey is IAAHDDWIJUHLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c1-3-17-14-18-9(2)7-13(20-14)19-12-6-4-5-11(15)10(12)8-16/h4-7H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile?
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile has a molecular weight of 271.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile is sourced from PubChem (CID 80793878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).