6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine

C17H22FN5 — CID 58590385

IUPAC6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCCC(F)c1nc(N)nc(N[C@@H]2CCCc3ccc(C)cc32)n1
InChIInChI=1S/C17H22FN5/c1-3-13(18)15-21-16(19)23-17(22-15)20-14-6-4-5-11-8-7-10(2)9-12(11)14/h7-9,13-14H,3-6H2,1-2H3,(H3,19,20,21,22,23)/t13?,14-/m1/s1
InChIKeyBQWOIXAAQZWCCA-ARLHGKGLSA-N
MW315.40 g/mol
LogP3.67
Rot. Bonds4

About 6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine

6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 58590385) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID58590385
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCCC(F)c1nc(N)nc(N[C@@H]2CCCc3ccc(C)cc32)n1
InChIInChI=1S/C17H22FN5/c1-3-13(18)15-21-16(19)23-17(22-15)20-14-6-4-5-11-8-7-10(2)9-12(11)14/h7-9,13-14H,3-6H2,1-2H3,(H3,19,20,21,22,23)/t13?,14-/m1/s1
InChIKeyBQWOIXAAQZWCCA-ARLHGKGLSA-N
XLogP3.67
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine (CID 58590385) is 6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine is CCC(F)c1nc(N)nc(N[C@@H]2CCCc3ccc(C)cc32)n1.
What is the InChIKey of 6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BQWOIXAAQZWCCA-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H22FN5/c1-3-13(18)15-21-16(19)23-17(22-15)20-14-6-4-5-11-8-7-10(2)9-12(11)14/h7-9,13-14H,3-6H2,1-2H3,(H3,19,20,21,22,23)/t13?,14-/m1/s1.
What are the key properties of 6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
6-(1-fluoropropyl)-2-N-[(1R)-7-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 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoropropyl)-2-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).