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

C15H18FN5 — CID 11496767

IUPAC6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc2c(c1)[C@H](Nc1nc(N)nc([C@@H](C)F)n1)CC2
InChIInChI=1S/C15H18FN5/c1-8-3-4-10-5-6-12(11(10)7-8)18-15-20-13(9(2)16)19-14(17)21-15/h3-4,7,9,12H,5-6H2,1-2H3,(H3,17,18,19,20,21)/t9-,12-/m1/s1
InChIKeyXWKYBCPQSOQBTC-BXKDBHETSA-N
MW287.34 g/mol
LogP2.89
Rot. Bonds3

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

6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 11496767) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID11496767
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc2c(c1)[C@H](Nc1nc(N)nc([C@@H](C)F)n1)CC2
InChIInChI=1S/C15H18FN5/c1-8-3-4-10-5-6-12(11(10)7-8)18-15-20-13(9(2)16)19-14(17)21-15/h3-4,7,9,12H,5-6H2,1-2H3,(H3,17,18,19,20,21)/t9-,12-/m1/s1
InChIKeyXWKYBCPQSOQBTC-BXKDBHETSA-N
XLogP2.89
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine (CID 11496767) is 6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine is Cc1ccc2c(c1)[C@H](Nc1nc(N)nc([C@@H](C)F)n1)CC2.
What is the InChIKey of 6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XWKYBCPQSOQBTC-BXKDBHETSA-N. The full InChI is InChI=1S/C15H18FN5/c1-8-3-4-10-5-6-12(11(10)7-8)18-15-20-13(9(2)16)19-14(17)21-15/h3-4,7,9,12H,5-6H2,1-2H3,(H3,17,18,19,20,21)/t9-,12-/m1/s1.
What are the key properties of 6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine?
6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 287.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11496767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).