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

C15H18N6O3 — CID 95278508

IUPAC1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile
SMILESCn1c(N2CCO[C@@H](Cn3cccn3)C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C15H18N6O3/c1-18-13(12(8-16)14(22)19(2)15(18)23)20-6-7-24-11(9-20)10-21-5-3-4-17-21/h3-5,11H,6-7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyBMEXXNMPHXQRBA-LLVKDONJSA-N
MW330.35 g/mol
LogP-0.94
Rot. Bonds3

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

1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile (PubChem CID 95278508) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile
PubChem CID95278508
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile
SMILESCn1c(N2CCO[C@@H](Cn3cccn3)C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C15H18N6O3/c1-18-13(12(8-16)14(22)19(2)15(18)23)20-6-7-24-11(9-20)10-21-5-3-4-17-21/h3-5,11H,6-7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyBMEXXNMPHXQRBA-LLVKDONJSA-N
XLogP-0.94
TPSA98.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile (CID 95278508) is 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile is Cn1c(N2CCO[C@@H](Cn3cccn3)C2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile?
The InChIKey is BMEXXNMPHXQRBA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-18-13(12(8-16)14(22)19(2)15(18)23)20-6-7-24-11(9-20)10-21-5-3-4-17-21/h3-5,11H,6-7,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile?
1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile has a molecular weight of 330.35 g/mol, XLogP of -0.94, 3 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-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 95278508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).