6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione

C14H14BrN3O2 — CID 112707501

IUPAC6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)CN(Cc1ccc(Br)cc1)CC2
InChIInChI=1S/C14H14BrN3O2/c15-10-3-1-9(2-4-10)7-18-6-5-12-11(8-18)13(19)17-14(20)16-12/h1-4H,5-8H2,(H2,16,17,19,20)
InChIKeyNUIMVIKGJKFIFS-UHFFFAOYSA-N
MW336.19 g/mol
LogP1.38
Rot. Bonds2

About 6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione

6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 112707501) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID112707501
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)CN(Cc1ccc(Br)cc1)CC2
InChIInChI=1S/C14H14BrN3O2/c15-10-3-1-9(2-4-10)7-18-6-5-12-11(8-18)13(19)17-14(20)16-12/h1-4H,5-8H2,(H2,16,17,19,20)
InChIKeyNUIMVIKGJKFIFS-UHFFFAOYSA-N
XLogP1.38
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (CID 112707501) is 6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is O=c1[nH]c2c(c(=O)[nH]1)CN(Cc1ccc(Br)cc1)CC2.
What is the InChIKey of 6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is NUIMVIKGJKFIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-10-3-1-9(2-4-10)7-18-6-5-12-11(8-18)13(19)17-14(20)16-12/h1-4H,5-8H2,(H2,16,17,19,20).
What are the key properties of 6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 336.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 112707501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).