2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide

C14H17N5O3 — CID 121119311

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1cc(=O)n(CCNC(=O)Cn2cnc(C)cc2=O)cn1
InChIInChI=1S/C14H17N5O3/c1-10-5-13(21)18(8-16-10)4-3-15-12(20)7-19-9-17-11(2)6-14(19)22/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,20)
InChIKeyKQDIXWWNEURUCG-UHFFFAOYSA-N
MW303.32 g/mol
LogP-0.77
Rot. Bonds5

About 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121119311) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121119311
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1cc(=O)n(CCNC(=O)Cn2cnc(C)cc2=O)cn1
InChIInChI=1S/C14H17N5O3/c1-10-5-13(21)18(8-16-10)4-3-15-12(20)7-19-9-17-11(2)6-14(19)22/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,20)
InChIKeyKQDIXWWNEURUCG-UHFFFAOYSA-N
XLogP-0.77
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121119311) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide is Cc1cc(=O)n(CCNC(=O)Cn2cnc(C)cc2=O)cn1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is KQDIXWWNEURUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-10-5-13(21)18(8-16-10)4-3-15-12(20)7-19-9-17-11(2)6-14(19)22/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,20).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 303.32 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121119311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).