5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one

C10H14BrN3O2 — CID 136956989

IUPAC5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2Br)CCCO1
InChIInChI=1S/C10H14BrN3O2/c1-10(3-2-4-16-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyYPQKPVCQMVJCRJ-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.51
Rot. Bonds3

About 5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one

5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956989) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956989
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2Br)CCCO1
InChIInChI=1S/C10H14BrN3O2/c1-10(3-2-4-16-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyYPQKPVCQMVJCRJ-UHFFFAOYSA-N
XLogP1.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136956989) is 5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one is CC1(CNc2nc[nH]c(=O)c2Br)CCCO1.
What is the InChIKey of 5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is YPQKPVCQMVJCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-10(3-2-4-16-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 288.14 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).