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

C11H11N5O3 — CID 133487328

IUPAC1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1cc(Oc2c(C#N)c(=O)n(C)c(=O)n2C)cn1
InChIInChI=1S/C11H11N5O3/c1-14-6-7(5-13-14)19-10-8(4-12)9(17)15(2)11(18)16(10)3/h5-6H,1-3H3
InChIKeyNZQLJMCCLARPKD-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.52
Rot. Bonds2

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

1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 133487328) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID133487328
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1cc(Oc2c(C#N)c(=O)n(C)c(=O)n2C)cn1
InChIInChI=1S/C11H11N5O3/c1-14-6-7(5-13-14)19-10-8(4-12)9(17)15(2)11(18)16(10)3/h5-6H,1-3H3
InChIKeyNZQLJMCCLARPKD-UHFFFAOYSA-N
XLogP-0.52
TPSA94.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile (CID 133487328) is 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile is Cn1cc(Oc2c(C#N)c(=O)n(C)c(=O)n2C)cn1.
What is the InChIKey of 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is NZQLJMCCLARPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-14-6-7(5-13-14)19-10-8(4-12)9(17)15(2)11(18)16(10)3/h5-6H,1-3H3.
What are the key properties of 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 261.24 g/mol, XLogP of -0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxy-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 133487328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).