5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one

C11H17BrN4O2 — CID 136956482

IUPAC5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(CN1CCOCC1)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H17BrN4O2/c1-8(6-16-2-4-18-5-3-16)15-10-9(12)11(17)14-7-13-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyKBMKETAVSXLFKH-UHFFFAOYSA-N
MW317.19 g/mol
LogP0.67
Rot. Bonds4

About 5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one

5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956482) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136956482
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(CN1CCOCC1)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H17BrN4O2/c1-8(6-16-2-4-18-5-3-16)15-10-9(12)11(17)14-7-13-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyKBMKETAVSXLFKH-UHFFFAOYSA-N
XLogP0.67
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one (CID 136956482) is 5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one is CC(CN1CCOCC1)Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is KBMKETAVSXLFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-8(6-16-2-4-18-5-3-16)15-10-9(12)11(17)14-7-13-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17).
What are the key properties of 5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one?
5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 317.19 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-morpholin-4-ylpropan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).