4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine

C15H24N4O — CID 82456242

IUPAC4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1nc(C2CC2)nc(NC2CCCCC2)c1N
InChIInChI=1S/C15H24N4O/c1-2-20-15-12(16)14(17-11-6-4-3-5-7-11)18-13(19-15)10-8-9-10/h10-11H,2-9,16H2,1H3,(H,17,18,19)
InChIKeyBMJJVCWKSQSXCJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.08
Rot. Bonds5

About 4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine

4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine (PubChem CID 82456242) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
PubChem CID82456242
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1nc(C2CC2)nc(NC2CCCCC2)c1N
InChIInChI=1S/C15H24N4O/c1-2-20-15-12(16)14(17-11-6-4-3-5-7-11)18-13(19-15)10-8-9-10/h10-11H,2-9,16H2,1H3,(H,17,18,19)
InChIKeyBMJJVCWKSQSXCJ-UHFFFAOYSA-N
XLogP3.08
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine
CID 82458504
4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
CID 82458490
4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456288
4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine
CID 82456171
2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82456230
4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456251
2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine
CID 82458510
2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine
CID 82456267
2-cyclopropyl-4-N-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456285
6-butoxy-4-N-cycloheptyl-2-methylpyrimidine-4,5-diamine
CID 82455497
4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455531
4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine
CID 82455919

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine (CID 82456242) is 4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine is CCOc1nc(C2CC2)nc(NC2CCCCC2)c1N.
What is the InChIKey of 4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine?
The InChIKey is BMJJVCWKSQSXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-20-15-12(16)14(17-11-6-4-3-5-7-11)18-13(19-15)10-8-9-10/h10-11H,2-9,16H2,1H3,(H,17,18,19).
What are the key properties of 4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine?
4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine has a molecular weight of 276.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82456242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).