5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione

C13H20BrN3O2 — CID 63777990

IUPAC5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione
SMILESCC1CCCC(NCCn2cc(Br)c(=O)[nH]c2=O)C1
InChIInChI=1S/C13H20BrN3O2/c1-9-3-2-4-10(7-9)15-5-6-17-8-11(14)12(18)16-13(17)19/h8-10,15H,2-7H2,1H3,(H,16,18,19)
InChIKeyDCWQHNAXGONZOT-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.47
Rot. Bonds4

About 5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione

5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione (PubChem CID 63777990) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione
PubChem CID63777990
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione
SMILESCC1CCCC(NCCn2cc(Br)c(=O)[nH]c2=O)C1
InChIInChI=1S/C13H20BrN3O2/c1-9-3-2-4-10(7-9)15-5-6-17-8-11(14)12(18)16-13(17)19/h8-10,15H,2-7H2,1H3,(H,16,18,19)
InChIKeyDCWQHNAXGONZOT-UHFFFAOYSA-N
XLogP1.47
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione (CID 63777990) is 5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione is CC1CCCC(NCCn2cc(Br)c(=O)[nH]c2=O)C1.
What is the InChIKey of 5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione?
The InChIKey is DCWQHNAXGONZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-9-3-2-4-10(7-9)15-5-6-17-8-11(14)12(18)16-13(17)19/h8-10,15H,2-7H2,1H3,(H,16,18,19).
What are the key properties of 5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione?
5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione has a molecular weight of 330.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63777990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).