5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine

C14H22BrN3O — CID 80858975

IUPAC5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OC2CCCCC2CC)n1
InChIInChI=1S/C14H22BrN3O/c1-3-10-7-5-6-8-12(10)19-13-11(15)9-17-14(18-13)16-4-2/h9-10,12H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyXUMLQAAAJXBUDR-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.02
Rot. Bonds5

About 5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine

5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine (PubChem CID 80858975) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine
PubChem CID80858975
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OC2CCCCC2CC)n1
InChIInChI=1S/C14H22BrN3O/c1-3-10-7-5-6-8-12(10)19-13-11(15)9-17-14(18-13)16-4-2/h9-10,12H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyXUMLQAAAJXBUDR-UHFFFAOYSA-N
XLogP4.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-4-(3-ethylcyclohexyl)oxypyrimidin-2-amine
CID 80876466
N-ethyl-5-methyl-4-(2-methylcyclohexyl)oxypyrimidin-2-amine
CID 80859417
5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
CID 106207530
3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531
4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine
CID 80871066
5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine
CID 80870663
5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80861907
5-bromo-4-N-cycloheptyl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80789656
5-bromo-4-N-(2-cyclopentylethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80790917
5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009
5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyrimidine
CID 114215576
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine (CID 80858975) is 5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine is CCNc1ncc(Br)c(OC2CCCCC2CC)n1.
What is the InChIKey of 5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine?
The InChIKey is XUMLQAAAJXBUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-3-10-7-5-6-8-12(10)19-13-11(15)9-17-14(18-13)16-4-2/h9-10,12H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine?
5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine has a molecular weight of 328.25 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-(2-ethylcyclohexyl)oxypyrimidin-2-amine is sourced from PubChem (CID 80858975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).