(4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate

C18H15N5O2 — CID 167866816

IUPAC(4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate
SMILESNc1nc(N)nc(COC(=O)c2ccc3c(c2)Cc2ccccc2-3)n1
InChIInChI=1S/C18H15N5O2/c19-17-21-15(22-18(20)23-17)9-25-16(24)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8H,7,9H2,(H4,19,20,21,22,23)
InChIKeyGQKWVGHWRUTNTR-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.96
Rot. Bonds3

About (4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate

(4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate (PubChem CID 167866816) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is (4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate.

Molecular Properties

Compound Name(4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate
PubChem CID167866816
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name(4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate
SMILESNc1nc(N)nc(COC(=O)c2ccc3c(c2)Cc2ccccc2-3)n1
InChIInChI=1S/C18H15N5O2/c19-17-21-15(22-18(20)23-17)9-25-16(24)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8H,7,9H2,(H4,19,20,21,22,23)
InChIKeyGQKWVGHWRUTNTR-UHFFFAOYSA-N
XLogP1.96
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
N-(3-hydroxypropyl)-9H-fluorene-2-carboxamide
CID 78869667
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-iodobenzoate
CID 8601845
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619399
(2E)-1-(9H-fluoren-2-yl)-2-hydrazinylideneethanone
CID 43835389
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 42577269
1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone
CID 53443148

Frequently Asked Questions

What is the IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate?
The IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate (CID 167866816) is (4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate.
What is the SMILES notation for (4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate?
The canonical SMILES for (4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate is Nc1nc(N)nc(COC(=O)c2ccc3c(c2)Cc2ccccc2-3)n1.
What is the InChIKey of (4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate?
The InChIKey is GQKWVGHWRUTNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c19-17-21-15(22-18(20)23-17)9-25-16(24)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8H,7,9H2,(H4,19,20,21,22,23).
What are the key properties of (4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate?
(4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate has a molecular weight of 333.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diamino-1,3,5-triazin-2-yl)methyl 9H-fluorene-2-carboxylate is sourced from PubChem (CID 167866816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).