2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide

C15H19N5O3 — CID 72719620

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide
SMILESCc1ncn(CC(=O)Nc2cnn(C3CCOC3)c2)c(=O)c1C
InChIInChI=1S/C15H19N5O3/c1-10-11(2)16-9-19(15(10)22)7-14(21)18-12-5-17-20(6-12)13-3-4-23-8-13/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,18,21)
InChIKeyKHSHGZWDBFPUEN-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.66
Rot. Bonds4

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide (PubChem CID 72719620) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide
PubChem CID72719620
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide
SMILESCc1ncn(CC(=O)Nc2cnn(C3CCOC3)c2)c(=O)c1C
InChIInChI=1S/C15H19N5O3/c1-10-11(2)16-9-19(15(10)22)7-14(21)18-12-5-17-20(6-12)13-3-4-23-8-13/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,18,21)
InChIKeyKHSHGZWDBFPUEN-UHFFFAOYSA-N
XLogP0.66
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide (CID 72719620) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide is Cc1ncn(CC(=O)Nc2cnn(C3CCOC3)c2)c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
The InChIKey is KHSHGZWDBFPUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-11(2)16-9-19(15(10)22)7-14(21)18-12-5-17-20(6-12)13-3-4-23-8-13/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,18,21).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide has a molecular weight of 317.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 72719620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).