5-bromo-4-(propylamino)-1H-pyrimidin-6-one

C7H10BrN3O — CID 136955882

IUPAC5-bromo-4-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O/c1-2-3-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyPGJPOAQQITXXSU-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.35
Rot. Bonds3

About 5-bromo-4-(propylamino)-1H-pyrimidin-6-one

5-bromo-4-(propylamino)-1H-pyrimidin-6-one (PubChem CID 136955882) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-4-(propylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(propylamino)-1H-pyrimidin-6-one
PubChem CID136955882
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name5-bromo-4-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O/c1-2-3-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyPGJPOAQQITXXSU-UHFFFAOYSA-N
XLogP1.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one
CID 135621691
5-bromo-2-(ethylamino)-4-fluoro-1H-pyrimidin-6-one
CID 135546467
5-bromo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786688
5-bromo-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819413
5-bromo-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136955983
5-bromo-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956609
5-bromo-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136957013
5-bromo-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957050
5-bromo-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957056
5-bromo-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957547
5-bromo-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957581
5-bromo-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957959

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(propylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(propylamino)-1H-pyrimidin-6-one (CID 136955882) is 5-bromo-4-(propylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(propylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(propylamino)-1H-pyrimidin-6-one is CCCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(propylamino)-1H-pyrimidin-6-one?
The InChIKey is PGJPOAQQITXXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-2-3-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-bromo-4-(propylamino)-1H-pyrimidin-6-one?
5-bromo-4-(propylamino)-1H-pyrimidin-6-one has a molecular weight of 232.08 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(propylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).