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

C15H18FN5O — CID 58590397

IUPAC6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc2c(c1)[C@H](Nc1nc(N)nc([C@@H](C)F)n1)CCO2
InChIInChI=1S/C15H18FN5O/c1-8-3-4-12-10(7-8)11(5-6-22-12)18-15-20-13(9(2)16)19-14(17)21-15/h3-4,7,9,11H,5-6H2,1-2H3,(H3,17,18,19,20,21)/t9-,11-/m1/s1
InChIKeySUUVEMDWURGYSD-MWLCHTKSSA-N
MW303.34 g/mol
LogP2.73
Rot. Bonds3

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

6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 58590397) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
PubChem CID58590397
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc2c(c1)[C@H](Nc1nc(N)nc([C@@H](C)F)n1)CCO2
InChIInChI=1S/C15H18FN5O/c1-8-3-4-12-10(7-8)11(5-6-22-12)18-15-20-13(9(2)16)19-14(17)21-15/h3-4,7,9,11H,5-6H2,1-2H3,(H3,17,18,19,20,21)/t9-,11-/m1/s1
InChIKeySUUVEMDWURGYSD-MWLCHTKSSA-N
XLogP2.73
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

6-methyl-4-N-(2-phenoxyethyl)-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 44393053
2-N,2-N-dimethyl-6-[(2-phenoxyethylamino)methyl]-4-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 145979871
2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 20682203
6-methyl-2-N-[1-[2-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 21348569
6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]pentan-3-yl]-1,3,5-triazine-2,4-diamine
CID 21348627
2-N-[1-[4-(difluoromethoxy)phenyl]pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348660
6-(1-fluoroethyl)-2-N-[1-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 22965370
6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 22965375
6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 22965385
6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine
CID 22965386
2-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965421
2-N-[1-(4-methoxyphenyl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 22965433

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine (CID 58590397) is 6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine is Cc1ccc2c(c1)[C@H](Nc1nc(N)nc([C@@H](C)F)n1)CCO2.
What is the InChIKey of 6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SUUVEMDWURGYSD-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-8-3-4-12-10(7-8)11(5-6-22-12)18-15-20-13(9(2)16)19-14(17)21-15/h3-4,7,9,11H,5-6H2,1-2H3,(H3,17,18,19,20,21)/t9-,11-/m1/s1.
What are the key properties of 6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 303.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-fluoroethyl]-2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).