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

C14H14FN5 — CID 80792497

IUPAC2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
SMILESCCNc1ncc(C)c(Nc2cccc(F)c2C#N)n1
InChIInChI=1S/C14H14FN5/c1-3-17-14-18-8-9(2)13(20-14)19-12-6-4-5-11(15)10(12)7-16/h4-6,8H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyMONRWOYXEAGOAV-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.97
Rot. Bonds4

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

2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile (PubChem CID 80792497) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
PubChem CID80792497
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
SMILESCCNc1ncc(C)c(Nc2cccc(F)c2C#N)n1
InChIInChI=1S/C14H14FN5/c1-3-17-14-18-8-9(2)13(20-14)19-12-6-4-5-11(15)10(12)7-16/h4-6,8H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyMONRWOYXEAGOAV-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

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Related Compounds

2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80793878
4-N-(2,3-dimethylphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80762179
4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 103587790
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
4-N-(2-tert-butylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80822747
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802105
2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80986630
2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile
CID 104533044
5-chloro-4-N-(2,3-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80797692
2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825104
4-N-(2,5-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80763434

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile (CID 80792497) is 2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile is CCNc1ncc(C)c(Nc2cccc(F)c2C#N)n1.
What is the InChIKey of 2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile?
The InChIKey is MONRWOYXEAGOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c1-3-17-14-18-8-9(2)13(20-14)19-12-6-4-5-11(15)10(12)7-16/h4-6,8H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile?
2-[[2-(ethylamino)-5-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)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile is sourced from PubChem (CID 80792497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).