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

C14H24N4O — CID 19136870

IUPAC6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine
SMILESCCN(CC)c1ncnc(OC2CCCCC2)c1N
InChIInChI=1S/C14H24N4O/c1-3-18(4-2)13-12(15)14(17-10-16-13)19-11-8-6-5-7-9-11/h10-11H,3-9,15H2,1-2H3
InChIKeyAQCUTVPJUVYDCE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.62
Rot. Bonds5

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

6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine (PubChem CID 19136870) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine
PubChem CID19136870
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine
SMILESCCN(CC)c1ncnc(OC2CCCCC2)c1N
InChIInChI=1S/C14H24N4O/c1-3-18(4-2)13-12(15)14(17-10-16-13)19-11-8-6-5-7-9-11/h10-11H,3-9,15H2,1-2H3
InChIKeyAQCUTVPJUVYDCE-UHFFFAOYSA-N
XLogP2.62
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine?
The IUPAC name of 6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine (CID 19136870) is 6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine is CCN(CC)c1ncnc(OC2CCCCC2)c1N.
What is the InChIKey of 6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine?
The InChIKey is AQCUTVPJUVYDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-18(4-2)13-12(15)14(17-10-16-13)19-11-8-6-5-7-9-11/h10-11H,3-9,15H2,1-2H3.
What are the key properties of 6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine?
6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-4-N,4-N-diethylpyrimidine-4,5-diamine is sourced from PubChem (CID 19136870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).