6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine

C11H18N4O — CID 19135148

IUPAC6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine
SMILESCNc1ncnc(OC2CCCCC2)c1N
InChIInChI=1S/C11H18N4O/c1-13-10-9(12)11(15-7-14-10)16-8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyRATIIWLXXGNVFG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.81
Rot. Bonds3

About 6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine

6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine (PubChem CID 19135148) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine
PubChem CID19135148
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine
SMILESCNc1ncnc(OC2CCCCC2)c1N
InChIInChI=1S/C11H18N4O/c1-13-10-9(12)11(15-7-14-10)16-8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyRATIIWLXXGNVFG-UHFFFAOYSA-N
XLogP1.81
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine (CID 19135148) is 6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine is CNc1ncnc(OC2CCCCC2)c1N.
What is the InChIKey of 6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine?
The InChIKey is RATIIWLXXGNVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-13-10-9(12)11(15-7-14-10)16-8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of 6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine?
6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-4-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 19135148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).