4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C17H12BrN3O3 — CID 51111657

IUPAC4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(Oc2ccc3cc(Br)ccc3c2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C17H12BrN3O3/c1-20-15(22)14(9-19)16(21(2)17(20)23)24-13-6-4-10-7-12(18)5-3-11(10)8-13/h3-8H,1-2H3
InChIKeyLKFWVHISPJEPIT-UHFFFAOYSA-N
MW386.21 g/mol
LogP2.66
Rot. Bonds2

About 4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 51111657) has the molecular formula C17H12BrN3O3 and a molecular weight of 386.21 g/mol. Its IUPAC name is 4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID51111657
Molecular FormulaC17H12BrN3O3
Molecular Weight386.21 g/mol
Exact Mass385.01
IUPAC Name4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(Oc2ccc3cc(Br)ccc3c2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C17H12BrN3O3/c1-20-15(22)14(9-19)16(21(2)17(20)23)24-13-6-4-10-7-12(18)5-3-11(10)8-13/h3-8H,1-2H3
InChIKeyLKFWVHISPJEPIT-UHFFFAOYSA-N
XLogP2.66
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 51111657) is 4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(Oc2ccc3cc(Br)ccc3c2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is LKFWVHISPJEPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O3/c1-20-15(22)14(9-19)16(21(2)17(20)23)24-13-6-4-10-7-12(18)5-3-11(10)8-13/h3-8H,1-2H3.
What are the key properties of 4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 386.21 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromonaphthalen-2-yl)oxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 51111657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).