6-(2-adamantyl)-1,3,5-triazine-2,4-diamine

C13H19N5 — CID 115998290

IUPAC6-(2-adamantyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C13H19N5/c14-12-16-11(17-13(15)18-12)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H4,14,15,16,17,18)
InChIKeyDHLQAEXPTLSHCK-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.58
Rot. Bonds1

About 6-(2-adamantyl)-1,3,5-triazine-2,4-diamine

6-(2-adamantyl)-1,3,5-triazine-2,4-diamine (PubChem CID 115998290) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-(2-adamantyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-adamantyl)-1,3,5-triazine-2,4-diamine
PubChem CID115998290
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-(2-adamantyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C13H19N5/c14-12-16-11(17-13(15)18-12)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H4,14,15,16,17,18)
InChIKeyDHLQAEXPTLSHCK-UHFFFAOYSA-N
XLogP1.58
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazine-2,4-diamine
CID 15346036
5-(2-adamantyl)-1H-1,2,4-triazol-3-amine
CID 81096033
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
6-(4,6-diamino-1,3,5-triazin-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile
CID 139694494
2,5-bis(2-adamantyl)-1,3,4-oxadiazole
CID 16727838
cerium;1,3,5-triazine-2,4,6-triamine
CID 161330303
6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681592
6-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1,3,5-triazine-2,4-diamine
CID 51381031
azane;molybdenum(4+);1,3,5-triazine-2,4,6-triamine
CID 172706405
azane;cobalt;1,3,5-triazine-2,4,6-triamine
CID 172711382
5-(2-adamantyl)-4-iodo-1,2-oxazol-3-amine
CID 81096508

Frequently Asked Questions

What is the IUPAC name of 6-(2-adamantyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-adamantyl)-1,3,5-triazine-2,4-diamine (CID 115998290) is 6-(2-adamantyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-adamantyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-adamantyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2C3CC4CC(C3)CC2C4)n1.
What is the InChIKey of 6-(2-adamantyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DHLQAEXPTLSHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c14-12-16-11(17-13(15)18-12)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H4,14,15,16,17,18).
What are the key properties of 6-(2-adamantyl)-1,3,5-triazine-2,4-diamine?
6-(2-adamantyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-adamantyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115998290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).