5-cyclohexyloxypyrimidine-2,4-diamine

C10H16N4O — CID 44531860

IUPAC5-cyclohexyloxypyrimidine-2,4-diamine
SMILESNc1ncc(OC2CCCCC2)c(N)n1
InChIInChI=1S/C10H16N4O/c11-9-8(6-13-10(12)14-9)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,11,12,13,14)
InChIKeyUKESUWGBHIPTRD-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.35
Rot. Bonds2

About 5-cyclohexyloxypyrimidine-2,4-diamine

5-cyclohexyloxypyrimidine-2,4-diamine (PubChem CID 44531860) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-cyclohexyloxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-cyclohexyloxypyrimidine-2,4-diamine
PubChem CID44531860
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-cyclohexyloxypyrimidine-2,4-diamine
SMILESNc1ncc(OC2CCCCC2)c(N)n1
InChIInChI=1S/C10H16N4O/c11-9-8(6-13-10(12)14-9)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,11,12,13,14)
InChIKeyUKESUWGBHIPTRD-UHFFFAOYSA-N
XLogP1.35
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxypyrimidine-2,4-diamine?
The IUPAC name of 5-cyclohexyloxypyrimidine-2,4-diamine (CID 44531860) is 5-cyclohexyloxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-cyclohexyloxypyrimidine-2,4-diamine?
The canonical SMILES for 5-cyclohexyloxypyrimidine-2,4-diamine is Nc1ncc(OC2CCCCC2)c(N)n1.
What is the InChIKey of 5-cyclohexyloxypyrimidine-2,4-diamine?
The InChIKey is UKESUWGBHIPTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-9-8(6-13-10(12)14-9)15-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,11,12,13,14).
What are the key properties of 5-cyclohexyloxypyrimidine-2,4-diamine?
5-cyclohexyloxypyrimidine-2,4-diamine has a molecular weight of 208.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxypyrimidine-2,4-diamine is sourced from PubChem (CID 44531860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).