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

C9H14BrN3O2 — CID 136971018

IUPAC5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(C)N(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-6(4-15-3)13(2)8-7(10)9(14)12-5-11-8/h5-6H,4H2,1-3H3,(H,11,12,14)
InChIKeyGCHXLPCGGJOQDZ-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.00
Rot. Bonds4

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

5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136971018) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136971018
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
SMILESCOCC(C)N(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-6(4-15-3)13(2)8-7(10)9(14)12-5-11-8/h5-6H,4H2,1-3H3,(H,11,12,14)
InChIKeyGCHXLPCGGJOQDZ-UHFFFAOYSA-N
XLogP1.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one
CID 168966510
5-Bromo-2-(1-methoxypropan-2-ylamino)-3-methylpyrimidin-4-one
CID 169748972
5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740474
5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586331
5-bromo-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586385
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-(dimethylamino)-2-methylpropoxy]-1H-pyrimidin-6-one
CID 114676503
5-bromo-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 114676538
5-bromo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
CID 136678161

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one (CID 136971018) is 5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one is COCC(C)N(C)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is GCHXLPCGGJOQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-6(4-15-3)13(2)8-7(10)9(14)12-5-11-8/h5-6H,4H2,1-3H3,(H,11,12,14).
What are the key properties of 5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 276.13 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136971018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).