2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine

C14H16FN5O — CID 58590437

IUPAC2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](F)c1nc(N)nc(N[C@@H]2CCOc3ccccc32)n1
InChIInChI=1S/C14H16FN5O/c1-8(15)12-18-13(16)20-14(19-12)17-10-6-7-21-11-5-3-2-4-9(10)11/h2-5,8,10H,6-7H2,1H3,(H3,16,17,18,19,20)/t8-,10-/m1/s1
InChIKeyODBBCCGHGWRMDS-PSASIEDQSA-N
MW289.31 g/mol
LogP2.42
Rot. Bonds3

About 2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine

2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 58590437) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
PubChem CID58590437
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](F)c1nc(N)nc(N[C@@H]2CCOc3ccccc32)n1
InChIInChI=1S/C14H16FN5O/c1-8(15)12-18-13(16)20-14(19-12)17-10-6-7-21-11-5-3-2-4-9(10)11/h2-5,8,10H,6-7H2,1H3,(H3,16,17,18,19,20)/t8-,10-/m1/s1
InChIKeyODBBCCGHGWRMDS-PSASIEDQSA-N
XLogP2.42
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine 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

4-N-(2-phenoxyethyl)-2-N-(1-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 10154897
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 10475231
4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4,6-triamine
CID 12088080
6-methyl-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393053
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 44393074
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 44393088
6-fluoro-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393072
2'-Ethoxylbenzoguanamine
CID 14601976
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 118986944
4-N-(2-phenoxyethyl)-2-N-[(1R)-1-phenylethyl]-1,3,5-triazine-2,4,6-triamine
CID 44393089
6-(5-Fluoro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 42601345
2-N,2-N-dimethyl-6-[(2-phenoxyethylamino)methyl]-4-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 145979871

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (CID 58590437) is 2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine is C[C@@H](F)c1nc(N)nc(N[C@@H]2CCOc3ccccc32)n1.
What is the InChIKey of 2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ODBBCCGHGWRMDS-PSASIEDQSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-8(15)12-18-13(16)20-14(19-12)17-10-6-7-21-11-5-3-2-4-9(10)11/h2-5,8,10H,6-7H2,1H3,(H3,16,17,18,19,20)/t8-,10-/m1/s1.
What are the key properties of 2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 289.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).