1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile

C14H15N5O3S — CID 133280874

IUPAC1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile
SMILESCn1c(N2CCOC(c3nccs3)C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N5O3S/c1-17-12(9(7-15)13(20)18(2)14(17)21)19-4-5-22-10(8-19)11-16-3-6-23-11/h3,6,10H,4-5,8H2,1-2H3
InChIKeyZUOPNHFRYDVSMO-UHFFFAOYSA-N
MW333.37 g/mol
LogP-0.01
Rot. Bonds2

About 1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile

1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile (PubChem CID 133280874) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile
PubChem CID133280874
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC Name1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile
SMILESCn1c(N2CCOC(c3nccs3)C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N5O3S/c1-17-12(9(7-15)13(20)18(2)14(17)21)19-4-5-22-10(8-19)11-16-3-6-23-11/h3,6,10H,4-5,8H2,1-2H3
InChIKeyZUOPNHFRYDVSMO-UHFFFAOYSA-N
XLogP-0.01
TPSA93.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile
CID 75448241
4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133374866
2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
CID 125129782
1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile
CID 95278508
2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile
CID 154840622
1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one
CID 133464320
(2S)-4-imidazo[1,2-a]pyrazin-8-yl-2-(1,3-thiazol-2-yl)morpholine
CID 164634498
1,3-dimethyl-2,4-dioxo-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
CID 17449906
N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
(2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine
CID 97327976
4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133287265
6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122053464

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile (CID 133280874) is 1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile is Cn1c(N2CCOC(c3nccs3)C2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile?
The InChIKey is ZUOPNHFRYDVSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c1-17-12(9(7-15)13(20)18(2)14(17)21)19-4-5-22-10(8-19)11-16-3-6-23-11/h3,6,10H,4-5,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile?
1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile has a molecular weight of 333.37 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 133280874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).