1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione

C15H21N5O3 — CID 95279154

IUPAC1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
SMILESCn1c(CN2CCO[C@H](Cn3cccn3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H21N5O3/c1-17-12(8-14(21)18(2)15(17)22)9-19-6-7-23-13(10-19)11-20-5-3-4-16-20/h3-5,8,13H,6-7,9-11H2,1-2H3/t13-/m0/s1
InChIKeyJISTWLTXIJILCI-ZDUSSCGKSA-N
MW319.37 g/mol
LogP-0.82
Rot. Bonds4

About 1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione (PubChem CID 95279154) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
PubChem CID95279154
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
SMILESCn1c(CN2CCO[C@H](Cn3cccn3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H21N5O3/c1-17-12(8-14(21)18(2)15(17)22)9-19-6-7-23-13(10-19)11-20-5-3-4-16-20/h3-5,8,13H,6-7,9-11H2,1-2H3/t13-/m0/s1
InChIKeyJISTWLTXIJILCI-ZDUSSCGKSA-N
XLogP-0.82
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione 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-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione (CID 95279154) is 1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione is Cn1c(CN2CCO[C@H](Cn3cccn3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is JISTWLTXIJILCI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-17-12(8-14(21)18(2)15(17)22)9-19-6-7-23-13(10-19)11-20-5-3-4-16-20/h3-5,8,13H,6-7,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 319.37 g/mol, XLogP of -0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 95279154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).