1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile

C14H20N4O3 — CID 75448241

IUPAC1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile
SMILESCC(C)C1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCO1
InChIInChI=1S/C14H20N4O3/c1-9(2)11-8-18(5-6-21-11)12-10(7-15)13(19)17(4)14(20)16(12)3/h9,11H,5-6,8H2,1-4H3
InChIKeyMSVDJBZUJQBRCZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.18
Rot. Bonds2

About 1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile

1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile (PubChem CID 75448241) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile
PubChem CID75448241
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile
SMILESCC(C)C1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCO1
InChIInChI=1S/C14H20N4O3/c1-9(2)11-8-18(5-6-21-11)12-10(7-15)13(19)17(4)14(20)16(12)3/h9,11H,5-6,8H2,1-4H3
InChIKeyMSVDJBZUJQBRCZ-UHFFFAOYSA-N
XLogP-0.18
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile (CID 75448241) is 1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile is CC(C)C1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCO1.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile?
The InChIKey is MSVDJBZUJQBRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(2)11-8-18(5-6-21-11)12-10(7-15)13(19)17(4)14(20)16(12)3/h9,11H,5-6,8H2,1-4H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile?
1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 75448241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).