N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine

C15H21FN6 — CID 131900530

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2nncn2C2CCCCC2)c1F
InChIInChI=1S/C15H21FN6/c1-2-12-14(16)15(19-9-18-12)17-8-13-21-20-10-22(13)11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,17,18,19)
InChIKeyBQZRGOIXROUXCO-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.89
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 131900530) has the molecular formula C15H21FN6 and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID131900530
Molecular FormulaC15H21FN6
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2nncn2C2CCCCC2)c1F
InChIInChI=1S/C15H21FN6/c1-2-12-14(16)15(19-9-18-12)17-8-13-21-20-10-22(13)11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,17,18,19)
InChIKeyBQZRGOIXROUXCO-UHFFFAOYSA-N
XLogP2.89
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 133434370
N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045871
6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883732
N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62709549
6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine
CID 133418990
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 103879872
[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 113344395
N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 106127963
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-7-methylpurin-2-amine
CID 163310513
3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 62710749
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methoxyethanamine
CID 79270074
4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
CID 133420970

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 131900530) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCc2nncn2C2CCCCC2)c1F.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is BQZRGOIXROUXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6/c1-2-12-14(16)15(19-9-18-12)17-8-13-21-20-10-22(13)11-6-4-3-5-7-11/h9-11H,2-8H2,1H3,(H,17,18,19).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 304.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 131900530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).