1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile

C15H18N4O2S — CID 133356715

IUPAC1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC(Cc1ccsc1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H18N4O2S/c1-10(7-11-5-6-22-9-11)17(2)13-12(8-16)14(20)19(4)15(21)18(13)3/h5-6,9-10H,7H2,1-4H3
InChIKeyUHRIQPXMNJKAPM-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.08
Rot. Bonds4

About 1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile

1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 133356715) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID133356715
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC(Cc1ccsc1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H18N4O2S/c1-10(7-11-5-6-22-9-11)17(2)13-12(8-16)14(20)19(4)15(21)18(13)3/h5-6,9-10H,7H2,1-4H3
InChIKeyUHRIQPXMNJKAPM-UHFFFAOYSA-N
XLogP1.08
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile (CID 133356715) is 1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile is CC(Cc1ccsc1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is UHRIQPXMNJKAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10(7-11-5-6-22-9-11)17(2)13-12(8-16)14(20)19(4)15(21)18(13)3/h5-6,9-10H,7H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 318.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 133356715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).