6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine

C13H22N4O — CID 80870965

IUPAC6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(OC2CCCCCC2)nc(N)n1
InChIInChI=1S/C13H22N4O/c1-2-15-11-9-12(17-13(14)16-11)18-10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H3,14,15,16,17)
InChIKeyXHZUORNBMCIYHK-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.59
Rot. Bonds4

About 6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine

6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 80870965) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine
PubChem CID80870965
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(OC2CCCCCC2)nc(N)n1
InChIInChI=1S/C13H22N4O/c1-2-15-11-9-12(17-13(14)16-11)18-10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H3,14,15,16,17)
InChIKeyXHZUORNBMCIYHK-UHFFFAOYSA-N
XLogP2.59
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80858375
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
6-cyclobutyloxy-N-ethylpyrimidin-4-amine
CID 80873769
4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80791193
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 23358672
N-ethyl-2-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
CID 80873426
N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80873271
N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
CID 80860868

Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine (CID 80870965) is 6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine is CCNc1cc(OC2CCCCCC2)nc(N)n1.
What is the InChIKey of 6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is XHZUORNBMCIYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-15-11-9-12(17-13(14)16-11)18-10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H3,14,15,16,17).
What are the key properties of 6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine?
6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80870965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).