6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one

C7H9BrN4O — CID 83867166

IUPAC6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)nc(NC2CC2)c1Br
InChIInChI=1S/C7H9BrN4O/c8-4-5(9)11-7(13)12-6(4)10-3-1-2-3/h3H,1-2H2,(H4,9,10,11,12,13)
InChIKeyOEPZTSMMBBTHPA-UHFFFAOYSA-N
MW245.08 g/mol
LogP0.69
Rot. Bonds2

About 6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one

6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one (PubChem CID 83867166) has the molecular formula C7H9BrN4O and a molecular weight of 245.08 g/mol. Its IUPAC name is 6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one
PubChem CID83867166
Molecular FormulaC7H9BrN4O
Molecular Weight245.08 g/mol
Exact Mass244.00
IUPAC Name6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)nc(NC2CC2)c1Br
InChIInChI=1S/C7H9BrN4O/c8-4-5(9)11-7(13)12-6(4)10-3-1-2-3/h3H,1-2H2,(H4,9,10,11,12,13)
InChIKeyOEPZTSMMBBTHPA-UHFFFAOYSA-N
XLogP0.69
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one (CID 83867166) is 6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one is Nc1[nH]c(=O)nc(NC2CC2)c1Br.
What is the InChIKey of 6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one?
The InChIKey is OEPZTSMMBBTHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4O/c8-4-5(9)11-7(13)12-6(4)10-3-1-2-3/h3H,1-2H2,(H4,9,10,11,12,13).
What are the key properties of 6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one?
6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one has a molecular weight of 245.08 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-4-(cyclopropylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 83867166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).