1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione

C18H14Br2N2O2 — CID 10765948

IUPAC1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ccc(Br)cc2)c(=O)n1Cc1ccc(Br)cc1
InChIInChI=1S/C18H14Br2N2O2/c19-15-5-1-13(2-6-15)11-21-10-9-17(23)22(18(21)24)12-14-3-7-16(20)8-4-14/h1-10H,11-12H2
InChIKeyBKIGIYRZFHYOEW-UHFFFAOYSA-N
MW450.13 g/mol
LogP3.63
Rot. Bonds4

About 1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione

1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 10765948) has the molecular formula C18H14Br2N2O2 and a molecular weight of 450.13 g/mol. Its IUPAC name is 1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
PubChem CID10765948
Molecular FormulaC18H14Br2N2O2
Molecular Weight450.13 g/mol
Exact Mass447.94
IUPAC Name1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ccc(Br)cc2)c(=O)n1Cc1ccc(Br)cc1
InChIInChI=1S/C18H14Br2N2O2/c19-15-5-1-13(2-6-15)11-21-10-9-17(23)22(18(21)24)12-14-3-7-16(20)8-4-14/h1-10H,11-12H2
InChIKeyBKIGIYRZFHYOEW-UHFFFAOYSA-N
XLogP3.63
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.13
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-1-[(3-bromophenyl)methyl]pyrimidine-2,4-dione
CID 166190063
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione
CID 106934163
3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 55239205
3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione
CID 106934085
3-[(5-bromo-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 113455683
1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one
CID 91480560
4-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]benzamide
CID 63811248
1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione
CID 5306011
3-[(4-bromophenyl)methyl]-1-ethyl-5-iodopyrimidine-2,4-dione
CID 79787597
3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 60697647
1-[(4-bromophenyl)methyl]-4-methylpyrazine-2,3-dione
CID 62886037

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione (CID 10765948) is 1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione is O=c1ccn(Cc2ccc(Br)cc2)c(=O)n1Cc1ccc(Br)cc1.
What is the InChIKey of 1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is BKIGIYRZFHYOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N2O2/c19-15-5-1-13(2-6-15)11-21-10-9-17(23)22(18(21)24)12-14-3-7-16(20)8-4-14/h1-10H,11-12H2.
What are the key properties of 1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione?
1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 450.13 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10765948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).