5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one

C10H14BrN3O2 — CID 102740474

IUPAC5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
SMILESCN(CCOc1nc[nH]c(=O)c1Br)C1CC1
InChIInChI=1S/C10H14BrN3O2/c1-14(7-2-3-7)4-5-16-10-8(11)9(15)12-6-13-10/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyRCNHJBQPGVDKCI-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.01
Rot. Bonds5

About 5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one

5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one (PubChem CID 102740474) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
PubChem CID102740474
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
SMILESCN(CCOc1nc[nH]c(=O)c1Br)C1CC1
InChIInChI=1S/C10H14BrN3O2/c1-14(7-2-3-7)4-5-16-10-8(11)9(15)12-6-13-10/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyRCNHJBQPGVDKCI-UHFFFAOYSA-N
XLogP1.01
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740468
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 102740477
4-[2-[cyclopropyl(methyl)amino]ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 102741498
4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741500
5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586302
5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586312
5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586331
5-bromo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586340
5-bromo-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586385
5-bromo-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586394
5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676263
5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 114676266

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one (CID 102740474) is 5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one is CN(CCOc1nc[nH]c(=O)c1Br)C1CC1.
What is the InChIKey of 5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one?
The InChIKey is RCNHJBQPGVDKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-14(7-2-3-7)4-5-16-10-8(11)9(15)12-6-13-10/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one?
5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one has a molecular weight of 288.14 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 102740474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).