6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine

C18H28N10 — CID 18926682

IUPAC6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCCCC2c2nc(N)nc(NC3CCCCC3)n2)n1
InChIInChI=1S/C18H28N10/c19-15-23-13(24-16(20)27-15)11-8-4-5-9-12(11)14-25-17(21)28-18(26-14)22-10-6-2-1-3-7-10/h10-12H,1-9H2,(H4,19,20,23,24,27)(H3,21,22,25,26,28)
InChIKeyUEQYOXDAWZVWOM-UHFFFAOYSA-N
MW384.49 g/mol
LogP1.99
Rot. Bonds4

About 6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine

6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine (PubChem CID 18926682) has the molecular formula C18H28N10 and a molecular weight of 384.49 g/mol. Its IUPAC name is 6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
PubChem CID18926682
Molecular FormulaC18H28N10
Molecular Weight384.49 g/mol
Exact Mass384.25
IUPAC Name6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCCCC2c2nc(N)nc(NC3CCCCC3)n2)n1
InChIInChI=1S/C18H28N10/c19-15-23-13(24-16(20)27-15)11-8-4-5-9-12(11)14-25-17(21)28-18(26-14)22-10-6-2-1-3-7-10/h10-12H,1-9H2,(H4,19,20,23,24,27)(H3,21,22,25,26,28)
InChIKeyUEQYOXDAWZVWOM-UHFFFAOYSA-N
XLogP1.99
TPSA167.43 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine (CID 18926682) is 6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2CCCCC2c2nc(N)nc(NC3CCCCC3)n2)n1.
What is the InChIKey of 6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UEQYOXDAWZVWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N10/c19-15-23-13(24-16(20)27-15)11-8-4-5-9-12(11)14-25-17(21)28-18(26-14)22-10-6-2-1-3-7-10/h10-12H,1-9H2,(H4,19,20,23,24,27)(H3,21,22,25,26,28).
What are the key properties of 6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine?
6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 384.49 g/mol, XLogP of 1.99, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18926682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).