2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C18H24FN5 — CID 70248924

IUPAC2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(NC2CCCC2Cc2ccccc2)n1
InChIInChI=1S/C18H24FN5/c1-18(2,19)15-22-16(20)24-17(23-15)21-14-10-6-9-13(14)11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyYDBHRBSSLCGCCO-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.48
Rot. Bonds5

About 2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 70248924) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID70248924
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(NC2CCCC2Cc2ccccc2)n1
InChIInChI=1S/C18H24FN5/c1-18(2,19)15-22-16(20)24-17(23-15)21-14-10-6-9-13(14)11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyYDBHRBSSLCGCCO-UHFFFAOYSA-N
XLogP3.48
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 70248924) is 2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)(F)c1nc(N)nc(NC2CCCC2Cc2ccccc2)n1.
What is the InChIKey of 2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YDBHRBSSLCGCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-18(2,19)15-22-16(20)24-17(23-15)21-14-10-6-9-13(14)11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11H2,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 329.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-benzylcyclopentyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 70248924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).