3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione

C13H14BrN3O2 — CID 104809272

IUPAC3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2ccc(Br)cn2)c1=O
InChIInChI=1S/C13H14BrN3O2/c1-2-6-16-7-5-12(18)17(13(16)19)9-11-4-3-10(14)8-15-11/h3-5,7-8H,2,6,9H2,1H3
InChIKeyNDZVWYPUANFCJM-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.63
Rot. Bonds4

About 3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione

3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione (PubChem CID 104809272) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
PubChem CID104809272
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(Cc2ccc(Br)cn2)c1=O
InChIInChI=1S/C13H14BrN3O2/c1-2-6-16-7-5-12(18)17(13(16)19)9-11-4-3-10(14)8-15-11/h3-5,7-8H,2,6,9H2,1H3
InChIKeyNDZVWYPUANFCJM-UHFFFAOYSA-N
XLogP1.63
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-bromo-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 113455683
1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
CID 63812232
1-propyl-3-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
CID 63810291
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809229
3-[(3-bromothiophen-2-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 63801388
3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 55239205
1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one
CID 116621225
3-[(2-amino-6-bromophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63799455
1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 63812391
3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione
CID 63811890
1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
CID 10765948
3-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]pyridine-2-carbothioamide
CID 63801009

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione (CID 104809272) is 3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(Cc2ccc(Br)cn2)c1=O.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is NDZVWYPUANFCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-2-6-16-7-5-12(18)17(13(16)19)9-11-4-3-10(14)8-15-11/h3-5,7-8H,2,6,9H2,1H3.
What are the key properties of 3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione?
3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 324.18 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 104809272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).