4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C19H20N6O2 — CID 31658750

IUPAC4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1ccc(-n2nc(C)c(Nc3c(C#N)c(=O)n(C)c(=O)n3C)c2C)cc1
InChIInChI=1S/C19H20N6O2/c1-11-6-8-14(9-7-11)25-13(3)16(12(2)22-25)21-17-15(10-20)18(26)24(5)19(27)23(17)4/h6-9,21H,1-5H3
InChIKeyPSJMAFBHUCIKDX-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.81
Rot. Bonds3

About 4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 31658750) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID31658750
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1ccc(-n2nc(C)c(Nc3c(C#N)c(=O)n(C)c(=O)n3C)c2C)cc1
InChIInChI=1S/C19H20N6O2/c1-11-6-8-14(9-7-11)25-13(3)16(12(2)22-25)21-17-15(10-20)18(26)24(5)19(27)23(17)4/h6-9,21H,1-5H3
InChIKeyPSJMAFBHUCIKDX-UHFFFAOYSA-N
XLogP1.81
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 31658750) is 4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cc1ccc(-n2nc(C)c(Nc3c(C#N)c(=O)n(C)c(=O)n3C)c2C)cc1.
What is the InChIKey of 4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is PSJMAFBHUCIKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-11-6-8-14(9-7-11)25-13(3)16(12(2)22-25)21-17-15(10-20)18(26)24(5)19(27)23(17)4/h6-9,21H,1-5H3.
What are the key properties of 4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 364.41 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 31658750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).