6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione

C19H18BrN3O2 — CID 154873488

IUPAC6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C2CCN(Cc3cc(Br)c4ccccc4c3)C2)[nH]c(=O)[nH]1
InChIInChI=1S/C19H18BrN3O2/c20-16-8-12(7-13-3-1-2-4-15(13)16)10-23-6-5-14(11-23)17-9-18(24)22-19(25)21-17/h1-4,7-9,14H,5-6,10-11H2,(H2,21,22,24,25)
InChIKeyXENUIEOTPDFWDK-UHFFFAOYSA-N
MW400.28 g/mol
LogP2.97
Rot. Bonds3

About 6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione

6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 154873488) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID154873488
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C2CCN(Cc3cc(Br)c4ccccc4c3)C2)[nH]c(=O)[nH]1
InChIInChI=1S/C19H18BrN3O2/c20-16-8-12(7-13-3-1-2-4-15(13)16)10-23-6-5-14(11-23)17-9-18(24)22-19(25)21-17/h1-4,7-9,14H,5-6,10-11H2,(H2,21,22,24,25)
InChIKeyXENUIEOTPDFWDK-UHFFFAOYSA-N
XLogP2.97
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-hydroxyethyl)piperidin-4-yl]-2H-isoquinolin-1-one
CID 10333441
3-[3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 127266929
N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-1H-pyrimidin-6-yl)pyrrolidine-1-carboxamide
CID 138031399
4-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682355
2-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136891299
6-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 167899353
4-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136681421
3-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]-2H-isoquinolin-1-one
CID 10313560
2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136715602
6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 10661952
6-[1-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 138018779
2-[(3S)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136869698

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione (CID 154873488) is 6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione is O=c1cc(C2CCN(Cc3cc(Br)c4ccccc4c3)C2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is XENUIEOTPDFWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c20-16-8-12(7-13-3-1-2-4-15(13)16)10-23-6-5-14(11-23)17-9-18(24)22-19(25)21-17/h1-4,7-9,14H,5-6,10-11H2,(H2,21,22,24,25).
What are the key properties of 6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 400.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(4-bromonaphthalen-2-yl)methyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154873488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).