6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine

C17H22FN5 — CID 58590409

IUPAC6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H]1CCc2ccccc2[C@@H]1Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C17H22FN5/c1-10-8-9-11-6-4-5-7-12(11)13(10)20-16-22-14(17(2,3)18)21-15(19)23-16/h4-7,10,13H,8-9H2,1-3H3,(H3,19,20,21,22,23)/t10-,13+/m0/s1
InChIKeyBEVCALTXKNSIAZ-GXFFZTMASA-N
MW315.40 g/mol
LogP3.39
Rot. Bonds3

About 6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine

6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 58590409) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID58590409
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H]1CCc2ccccc2[C@@H]1Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C17H22FN5/c1-10-8-9-11-6-4-5-7-12(11)13(10)20-16-22-14(17(2,3)18)21-15(19)23-16/h4-7,10,13H,8-9H2,1-3H3,(H3,19,20,21,22,23)/t10-,13+/m0/s1
InChIKeyBEVCALTXKNSIAZ-GXFFZTMASA-N
XLogP3.39
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine (CID 58590409) is 6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine is C[C@H]1CCc2ccccc2[C@@H]1Nc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BEVCALTXKNSIAZ-GXFFZTMASA-N. The full InChI is InChI=1S/C17H22FN5/c1-10-8-9-11-6-4-5-7-12(11)13(10)20-16-22-14(17(2,3)18)21-15(19)23-16/h4-7,10,13H,8-9H2,1-3H3,(H3,19,20,21,22,23)/t10-,13+/m0/s1.
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 315.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).