6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

C13H19FN6 — CID 84597685

IUPAC6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2nnc(C(C)C)n2C)c1F
InChIInChI=1S/C13H19FN6/c1-5-9-11(14)12(17-7-16-9)15-6-10-18-19-13(8(2)3)20(10)4/h7-8H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyJLTSWFOYNXWTBR-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.04
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 84597685) has the molecular formula C13H19FN6 and a molecular weight of 278.33 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID84597685
Molecular FormulaC13H19FN6
Molecular Weight278.33 g/mol
Exact Mass278.17
IUPAC Name6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2nnc(C(C)C)n2C)c1F
InChIInChI=1S/C13H19FN6/c1-5-9-11(14)12(17-7-16-9)15-6-10-18-19-13(8(2)3)20(10)4/h7-8H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyJLTSWFOYNXWTBR-UHFFFAOYSA-N
XLogP2.04
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-N-butyl-6-methyl-5-[3-(1,2,4-triazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 135271031
6-ethyl-N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N~4~,5-dimethylpyrimidine-2,4-diamine
CID 72858141
6-cyclopropyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 72931262
6-isopropyl-2-methyl-N-[3-(1H-1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
CID 50954626
N~2~,N~2~-dimethyl-N~4~-[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 50956374
6-isopropyl-N~4~-methyl-N~4~-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 72877213
6-ethyl-5-methyl-N~4~-[3-(4H-1,2,4-triazol-4-yl)propyl]pyrimidine-2,4-diamine
CID 72929761
6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
CID 75504417
N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 132385480
4-ethyl-5-fluoro-6-[(3R)-3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 164631223
6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
CID 164633271
6-ethyl-5-fluoro-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171359955

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (CID 84597685) is 6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is CCc1ncnc(NCc2nnc(C(C)C)n2C)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is JLTSWFOYNXWTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN6/c1-5-9-11(14)12(17-7-16-9)15-6-10-18-19-13(8(2)3)20(10)4/h7-8H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of 6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 278.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 84597685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).