N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine

C17H19FN6 — CID 46846651

IUPACN-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine
SMILESFc1ccc(C2=Nc3cnc(NC4CCCCC4)nc3NN2)cc1
InChIInChI=1S/C17H19FN6/c18-12-8-6-11(7-9-12)15-21-14-10-19-17(22-16(14)24-23-15)20-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,21,23)(H2,19,20,22,24)
InChIKeyURPJYRMQYQNRRP-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.37
Rot. Bonds3

About N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine

N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine (PubChem CID 46846651) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine
PubChem CID46846651
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC NameN-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine
SMILESFc1ccc(C2=Nc3cnc(NC4CCCCC4)nc3NN2)cc1
InChIInChI=1S/C17H19FN6/c18-12-8-6-11(7-9-12)15-21-14-10-19-17(22-16(14)24-23-15)20-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,21,23)(H2,19,20,22,24)
InChIKeyURPJYRMQYQNRRP-UHFFFAOYSA-N
XLogP3.37
TPSA74.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 175705974
N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
CID 92567499
5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942291
N-cyclopentyl-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553610
2-cyclopentyl-5-(4-fluorophenyl)pyridine
CID 68657730
N-cycloheptyl-6-methylquinazolin-2-amine
CID 176973176
N-cyclohexyl-6-methylquinazolin-2-amine
CID 156833151
2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910617
5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine
CID 170925547
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
2-N-cycloheptylpyrimidine-2,5-diamine
CID 61147383
3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112942406

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine?
The IUPAC name of N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine (CID 46846651) is N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine.
What is the SMILES notation for N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine?
The canonical SMILES for N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine is Fc1ccc(C2=Nc3cnc(NC4CCCCC4)nc3NN2)cc1.
What is the InChIKey of N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine?
The InChIKey is URPJYRMQYQNRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c18-12-8-6-11(7-9-12)15-21-14-10-19-17(22-16(14)24-23-15)20-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,21,23)(H2,19,20,22,24).
What are the key properties of N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine?
N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine has a molecular weight of 326.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-fluorophenyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-7-amine is sourced from PubChem (CID 46846651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).