4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine

C16H26N4O — CID 19135925

IUPAC4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine
SMILESNc1c(NC2CCCCC2)ncnc1OC1CCCCC1
InChIInChI=1S/C16H26N4O/c17-14-15(20-12-7-3-1-4-8-12)18-11-19-16(14)21-13-9-5-2-6-10-13/h11-13H,1-10,17H2,(H,18,19,20)
InChIKeyNELJNMJQMNHCBC-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.51
Rot. Bonds4

About 4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine

4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine (PubChem CID 19135925) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine
PubChem CID19135925
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine
SMILESNc1c(NC2CCCCC2)ncnc1OC1CCCCC1
InChIInChI=1S/C16H26N4O/c17-14-15(20-12-7-3-1-4-8-12)18-11-19-16(14)21-13-9-5-2-6-10-13/h11-13H,1-10,17H2,(H,18,19,20)
InChIKeyNELJNMJQMNHCBC-UHFFFAOYSA-N
XLogP3.51
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine (CID 19135925) is 4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine is Nc1c(NC2CCCCC2)ncnc1OC1CCCCC1.
What is the InChIKey of 4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine?
The InChIKey is NELJNMJQMNHCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c17-14-15(20-12-7-3-1-4-8-12)18-11-19-16(14)21-13-9-5-2-6-10-13/h11-13H,1-10,17H2,(H,18,19,20).
What are the key properties of 4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine?
4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine has a molecular weight of 290.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-cyclohexyloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19135925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).