4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C19H20N6O2 — CID 24587808

IUPAC4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN(Cc1cnn(Cc2ccccc2)c1)c1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C19H20N6O2/c1-22(17-16(9-20)18(26)24(3)19(27)23(17)2)11-15-10-21-25(13-15)12-14-7-5-4-6-8-14/h4-8,10,13H,11-12H2,1-3H3
InChIKeyMEEGXPPAAVFEIS-UHFFFAOYSA-N
MW364.41 g/mol
LogP0.84
Rot. Bonds5

About 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 24587808) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID24587808
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN(Cc1cnn(Cc2ccccc2)c1)c1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C19H20N6O2/c1-22(17-16(9-20)18(26)24(3)19(27)23(17)2)11-15-10-21-25(13-15)12-14-7-5-4-6-8-14/h4-8,10,13H,11-12H2,1-3H3
InChIKeyMEEGXPPAAVFEIS-UHFFFAOYSA-N
XLogP0.84
TPSA88.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 24587808) is 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CN(Cc1cnn(Cc2ccccc2)c1)c1c(C#N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is MEEGXPPAAVFEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-22(17-16(9-20)18(26)24(3)19(27)23(17)2)11-15-10-21-25(13-15)12-14-7-5-4-6-8-14/h4-8,10,13H,11-12H2,1-3H3.
What are the key properties of 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 364.41 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 24587808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).