5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one

C10H14BrN3O2 — CID 136678161

IUPAC5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
SMILESC=CCN(CCOC)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H14BrN3O2/c1-3-4-14(5-6-16-2)9-8(11)10(15)13-7-12-9/h3,7H,1,4-6H2,2H3,(H,12,13,15)
InChIKeyKLPUPRNSPSSRJU-UHFFFAOYSA-N
MW288.15 g/mol
LogP1.17
Rot. Bonds6

About 5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one (PubChem CID 136678161) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is 5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
PubChem CID136678161
Molecular FormulaC10H14BrN3O2
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC Name5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
SMILESC=CCN(CCOC)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H14BrN3O2/c1-3-4-14(5-6-16-2)9-8(11)10(15)13-7-12-9/h3,7H,1,4-6H2,2H3,(H,12,13,15)
InChIKeyKLPUPRNSPSSRJU-UHFFFAOYSA-N
XLogP1.17
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-iodo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
CID 136678162
5-chloro-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
CID 136678163
5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one
CID 136690728
5-bromo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820298
5-bromo-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
CID 136896843
5-bromo-4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 136955870
5-bromo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 136955888
5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136955940
5-bromo-4-(2-butoxyethylamino)-1H-pyrimidin-6-one
CID 136956278
5-bromo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956345

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one (CID 136678161) is 5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one is C=CCN(CCOC)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one?
The InChIKey is KLPUPRNSPSSRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-3-4-14(5-6-16-2)9-8(11)10(15)13-7-12-9/h3,7H,1,4-6H2,2H3,(H,12,13,15).
What are the key properties of 5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one has a molecular weight of 288.15 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136678161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).