5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one

C10H14BrN3O2 — CID 136956099

IUPAC5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1Br)C1CCCO1
InChIInChI=1S/C10H14BrN3O2/c1-6(7-3-2-4-16-7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyWEGHFJVJFWRVKP-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.51
Rot. Bonds3

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

5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136956099) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136956099
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1Br)C1CCCO1
InChIInChI=1S/C10H14BrN3O2/c1-6(7-3-2-4-16-7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyWEGHFJVJFWRVKP-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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Related Compounds

5-Bromo-6-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
CID 66308994
5-Bromo-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
CID 66309159
5-bromo-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857181
5-bromo-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956018
5-iodo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956097
4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956100
5-bromo-4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956264
5-bromo-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956337
5-bromo-4-[(2-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136956535
5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrimidin-6-one
CID 136956967
5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956989
5-bromo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136957046

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136956099) is 5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one is CC(Nc1nc[nH]c(=O)c1Br)C1CCCO1.
What is the InChIKey of 5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is WEGHFJVJFWRVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-6(7-3-2-4-16-7)14-9-8(11)10(15)13-5-12-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one?
5-bromo-4-[1-(oxolan-2-yl)ethylamino]-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-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).