2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide

C15H27Br2N3O — CID 2942024

IUPAC2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide
SMILESBr.Br.CCCc1cc(=O)n(CC)c(NC2CCCCC2)n1
InChIInChI=1S/C15H25N3O.2BrH/c1-3-8-13-11-14(19)18(4-2)15(17-13)16-12-9-6-5-7-10-12;;/h11-12H,3-10H2,1-2H3,(H,16,17);2*1H
InChIKeyRSEXVVUGBUFASJ-UHFFFAOYSA-N
MW425.21 g/mol
LogP4.12
Rot. Bonds5

About 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide

2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide (PubChem CID 2942024) has the molecular formula C15H27Br2N3O and a molecular weight of 425.21 g/mol. Its IUPAC name is 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide.

Molecular Properties

Compound Name2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide
PubChem CID2942024
Molecular FormulaC15H27Br2N3O
Molecular Weight425.21 g/mol
Exact Mass423.05
IUPAC Name2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide
SMILESBr.Br.CCCc1cc(=O)n(CC)c(NC2CCCCC2)n1
InChIInChI=1S/C15H25N3O.2BrH/c1-3-8-13-11-14(19)18(4-2)15(17-13)16-12-9-6-5-7-10-12;;/h11-12H,3-10H2,1-2H3,(H,16,17);2*1H
InChIKeyRSEXVVUGBUFASJ-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide?
The IUPAC name of 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide (CID 2942024) is 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide.
What is the SMILES notation for 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide?
The canonical SMILES for 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide is Br.Br.CCCc1cc(=O)n(CC)c(NC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide?
The InChIKey is RSEXVVUGBUFASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2BrH/c1-3-8-13-11-14(19)18(4-2)15(17-13)16-12-9-6-5-7-10-12;;/h11-12H,3-10H2,1-2H3,(H,16,17);2*1H.
What are the key properties of 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide?
2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide has a molecular weight of 425.21 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-3-ethyl-6-propylpyrimidin-4-one;dihydrobromide is sourced from PubChem (CID 2942024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).