5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one

C10H15BrN4O — CID 136978124

IUPAC5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCC2CCNC2)c1Br
InChIInChI=1S/C10H15BrN4O/c11-8-9(14-6-15-10(8)16)13-4-2-7-1-3-12-5-7/h6-7,12H,1-5H2,(H2,13,14,15,16)
InChIKeyWAYFZXSPXUVLDW-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.94
Rot. Bonds4

About 5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one

5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136978124) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136978124
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCC2CCNC2)c1Br
InChIInChI=1S/C10H15BrN4O/c11-8-9(14-6-15-10(8)16)13-4-2-7-1-3-12-5-7/h6-7,12H,1-5H2,(H2,13,14,15,16)
InChIKeyWAYFZXSPXUVLDW-UHFFFAOYSA-N
XLogP0.94
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136978128
5-bromo-4-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136977748
5-bromo-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764981
5-chloro-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978823
5-iodo-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978824
5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977117
4-(4-aminobutylamino)-5-bromo-1H-pyrimidin-6-one
CID 136973374
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 136956545
5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136974194
5-bromo-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136823717

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one (CID 136978124) is 5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCC2CCNC2)c1Br.
What is the InChIKey of 5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is WAYFZXSPXUVLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c11-8-9(14-6-15-10(8)16)13-4-2-7-1-3-12-5-7/h6-7,12H,1-5H2,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136978124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).