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

C10H15BrN4O — CID 136956545

IUPAC5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCN2CCCC2)c1Br
InChIInChI=1S/C10H15BrN4O/c11-8-9(13-7-14-10(8)16)12-3-6-15-4-1-2-5-15/h7H,1-6H2,(H2,12,13,14,16)
InChIKeyJHNAAKGTFBPQIA-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.04
Rot. Bonds4

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

5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136956545) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136956545
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCN2CCCC2)c1Br
InChIInChI=1S/C10H15BrN4O/c11-8-9(13-7-14-10(8)16)12-3-6-15-4-1-2-5-15/h7H,1-6H2,(H2,12,13,14,16)
InChIKeyJHNAAKGTFBPQIA-UHFFFAOYSA-N
XLogP1.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(azepan-1-yl)ethylamino]-5-bromo-1H-pyrimidin-6-one
CID 137015442
5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786660
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
5-bromo-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842343
5-bromo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857191
5-bromo-4-(3-methylsulfonylpropylamino)-1H-pyrimidin-6-one
CID 136956238
5-methoxy-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 136876834
5-bromo-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764981
4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one
CID 135709667
5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136978124
4-(3-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 137008775
5-bromo-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 137011139

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one (CID 136956545) is 5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCN2CCCC2)c1Br.
What is the InChIKey of 5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is JHNAAKGTFBPQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c11-8-9(13-7-14-10(8)16)12-3-6-15-4-1-2-5-15/h7H,1-6H2,(H2,12,13,14,16).
What are the key properties of 5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).