5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one

C10H17BrN4O2 — CID 136896843

IUPAC5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
SMILESCN(C)CCOCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H17BrN4O2/c1-15(2)4-6-17-5-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyYHZZBJDNASSKLF-UHFFFAOYSA-N
MW305.18 g/mol
LogP0.52
Rot. Bonds7

About 5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one

5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one (PubChem CID 136896843) has the molecular formula C10H17BrN4O2 and a molecular weight of 305.18 g/mol. Its IUPAC name is 5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
PubChem CID136896843
Molecular FormulaC10H17BrN4O2
Molecular Weight305.18 g/mol
Exact Mass304.05
IUPAC Name5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
SMILESCN(C)CCOCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H17BrN4O2/c1-15(2)4-6-17-5-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyYHZZBJDNASSKLF-UHFFFAOYSA-N
XLogP0.52
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896835
5-bromo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956680
5-Bromo-3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one
CID 66309589
5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586302
5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586331
5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676263
5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676274
5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
CID 136678161
5-bromo-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136713911
4-[3-(2-aminoethoxy)propylamino]-5-bromo-1H-pyrimidin-6-one
CID 136730543
5-bromo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764962
5-bromo-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764981

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one (CID 136896843) is 5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one is CN(C)CCOCCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is YHZZBJDNASSKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O2/c1-15(2)4-6-17-5-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one?
5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 305.18 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136896843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).