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

C7H11BrN4O — CID 136978155

IUPAC4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one
SMILESCC(N)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H11BrN4O/c1-4(9)2-10-6-5(8)7(13)12-3-11-6/h3-4H,2,9H2,1H3,(H2,10,11,12,13)
InChIKeyXKNALAWFKDXAAZ-UHFFFAOYSA-N
MW247.10 g/mol
LogP0.29
Rot. Bonds3

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

4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one (PubChem CID 136978155) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one
PubChem CID136978155
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one
SMILESCC(N)CNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H11BrN4O/c1-4(9)2-10-6-5(8)7(13)12-3-11-6/h3-4H,2,9H2,1H3,(H2,10,11,12,13)
InChIKeyXKNALAWFKDXAAZ-UHFFFAOYSA-N
XLogP0.29
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136817755
5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 136957174
4-(3-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 137008775
5-bromo-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136955885
4-[(4-amino-2,2-dimethylbutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136857340
4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136978383
5-bromo-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975161
5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one
CID 136955873
4-(4-aminobutylamino)-5-bromo-1H-pyrimidin-6-one
CID 136973374
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-bromo-4-(4-bromopentan-2-ylamino)-1H-pyrimidin-6-one
CID 136972073

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one (CID 136978155) is 4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one is CC(N)CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one?
The InChIKey is XKNALAWFKDXAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-4(9)2-10-6-5(8)7(13)12-3-11-6/h3-4H,2,9H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one?
4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one has a molecular weight of 247.10 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136978155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).