5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one

C9H14BrN3O2 — CID 168966510

IUPAC5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one
SMILESCOC[C@@H](C)Nc1ncc(Br)c(=O)n1C
InChIInChI=1S/C9H14BrN3O2/c1-6(5-15-3)12-9-11-4-7(10)8(14)13(9)2/h4,6H,5H2,1-3H3,(H,11,12)/t6-/m1/s1
InChIKeyGWXJMMXRAHTHFJ-ZCFIWIBFSA-N
MW276.13 g/mol
LogP0.99
Rot. Bonds4

About 5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one

5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one (PubChem CID 168966510) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one
PubChem CID168966510
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one
SMILESCOC[C@@H](C)Nc1ncc(Br)c(=O)n1C
InChIInChI=1S/C9H14BrN3O2/c1-6(5-15-3)12-9-11-4-7(10)8(14)13(9)2/h4,6H,5H2,1-3H3,(H,11,12)/t6-/m1/s1
InChIKeyGWXJMMXRAHTHFJ-ZCFIWIBFSA-N
XLogP0.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one (CID 168966510) is 5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one is COC[C@@H](C)Nc1ncc(Br)c(=O)n1C.
What is the InChIKey of 5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one?
The InChIKey is GWXJMMXRAHTHFJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-6(5-15-3)12-9-11-4-7(10)8(14)13(9)2/h4,6H,5H2,1-3H3,(H,11,12)/t6-/m1/s1.
What are the key properties of 5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one?
5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one has a molecular weight of 276.13 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[(2R)-1-methoxypropan-2-yl]amino]-3-methylpyrimidin-4-one is sourced from PubChem (CID 168966510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).