2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide

C17H22N6O3 — CID 70719969

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCc2cc(N3CCOCC3)ncn2)c(=O)n1
InChIInChI=1S/C17H22N6O3/c1-12-7-13(2)23(17(25)21-12)10-16(24)18-9-14-8-15(20-11-19-14)22-3-5-26-6-4-22/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,24)
InChIKeyPBRJGRBBEBSVRE-UHFFFAOYSA-N
MW358.40 g/mol
LogP-0.20
Rot. Bonds5

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide (PubChem CID 70719969) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
PubChem CID70719969
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCc2cc(N3CCOCC3)ncn2)c(=O)n1
InChIInChI=1S/C17H22N6O3/c1-12-7-13(2)23(17(25)21-12)10-16(24)18-9-14-8-15(20-11-19-14)22-3-5-26-6-4-22/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,24)
InChIKeyPBRJGRBBEBSVRE-UHFFFAOYSA-N
XLogP-0.20
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide (CID 70719969) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide is Cc1cc(C)n(CC(=O)NCc2cc(N3CCOCC3)ncn2)c(=O)n1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is PBRJGRBBEBSVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-12-7-13(2)23(17(25)21-12)10-16(24)18-9-14-8-15(20-11-19-14)22-3-5-26-6-4-22/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,24).
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 70719969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).