6-cyclohexyloxypyrimidine-2,4,5-triamine

C10H17N5O — CID 44541820

IUPAC6-cyclohexyloxypyrimidine-2,4,5-triamine
SMILESNc1nc(N)c(N)c(OC2CCCCC2)n1
InChIInChI=1S/C10H17N5O/c11-7-8(12)14-10(13)15-9(7)16-6-4-2-1-3-5-6/h6H,1-5,11H2,(H4,12,13,14,15)
InChIKeyZTPMLPRJYKMJTF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.93
Rot. Bonds2

About 6-cyclohexyloxypyrimidine-2,4,5-triamine

6-cyclohexyloxypyrimidine-2,4,5-triamine (PubChem CID 44541820) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-cyclohexyloxypyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-cyclohexyloxypyrimidine-2,4,5-triamine
PubChem CID44541820
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name6-cyclohexyloxypyrimidine-2,4,5-triamine
SMILESNc1nc(N)c(N)c(OC2CCCCC2)n1
InChIInChI=1S/C10H17N5O/c11-7-8(12)14-10(13)15-9(7)16-6-4-2-1-3-5-6/h6H,1-5,11H2,(H4,12,13,14,15)
InChIKeyZTPMLPRJYKMJTF-UHFFFAOYSA-N
XLogP0.93
TPSA113.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxypyrimidine-2,4,5-triamine?
The IUPAC name of 6-cyclohexyloxypyrimidine-2,4,5-triamine (CID 44541820) is 6-cyclohexyloxypyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-cyclohexyloxypyrimidine-2,4,5-triamine?
The canonical SMILES for 6-cyclohexyloxypyrimidine-2,4,5-triamine is Nc1nc(N)c(N)c(OC2CCCCC2)n1.
What is the InChIKey of 6-cyclohexyloxypyrimidine-2,4,5-triamine?
The InChIKey is ZTPMLPRJYKMJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-7-8(12)14-10(13)15-9(7)16-6-4-2-1-3-5-6/h6H,1-5,11H2,(H4,12,13,14,15).
What are the key properties of 6-cyclohexyloxypyrimidine-2,4,5-triamine?
6-cyclohexyloxypyrimidine-2,4,5-triamine has a molecular weight of 223.28 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxypyrimidine-2,4,5-triamine is sourced from PubChem (CID 44541820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).