6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine

C11H19N5O — CID 5329597

IUPAC6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine
SMILESNc1nc(N)c(N)c(OCC2CCCCC2)n1
InChIInChI=1S/C11H19N5O/c12-8-9(13)15-11(14)16-10(8)17-6-7-4-2-1-3-5-7/h7H,1-6,12H2,(H4,13,14,15,16)
InChIKeyIMNSQZHRHASLAR-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.18
Rot. Bonds3

About 6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine

6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine (PubChem CID 5329597) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine
PubChem CID5329597
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine
SMILESNc1nc(N)c(N)c(OCC2CCCCC2)n1
InChIInChI=1S/C11H19N5O/c12-8-9(13)15-11(14)16-10(8)17-6-7-4-2-1-3-5-7/h7H,1-6,12H2,(H4,13,14,15,16)
InChIKeyIMNSQZHRHASLAR-UHFFFAOYSA-N
XLogP1.18
TPSA113.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine?
The IUPAC name of 6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine (CID 5329597) is 6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine?
The canonical SMILES for 6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine is Nc1nc(N)c(N)c(OCC2CCCCC2)n1.
What is the InChIKey of 6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine?
The InChIKey is IMNSQZHRHASLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-8-9(13)15-11(14)16-10(8)17-6-7-4-2-1-3-5-7/h7H,1-6,12H2,(H4,13,14,15,16).
What are the key properties of 6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine?
6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine has a molecular weight of 237.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine is sourced from PubChem (CID 5329597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).