2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide

C17H25N7O2 — CID 122325476

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide
SMILESCCNc1nc(C)cc(NCCNC(=O)Cn2cnc(C)c(C)c2=O)n1
InChIInChI=1S/C17H25N7O2/c1-5-18-17-22-11(2)8-14(23-17)19-6-7-20-15(25)9-24-10-21-13(4)12(3)16(24)26/h8,10H,5-7,9H2,1-4H3,(H,20,25)(H2,18,19,22,23)
InChIKeyZYUBNDADWNCMTD-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.62
Rot. Bonds8

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 122325476) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID122325476
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide
SMILESCCNc1nc(C)cc(NCCNC(=O)Cn2cnc(C)c(C)c2=O)n1
InChIInChI=1S/C17H25N7O2/c1-5-18-17-22-11(2)8-14(23-17)19-6-7-20-15(25)9-24-10-21-13(4)12(3)16(24)26/h8,10H,5-7,9H2,1-4H3,(H,20,25)(H2,18,19,22,23)
InChIKeyZYUBNDADWNCMTD-UHFFFAOYSA-N
XLogP0.62
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 122295473
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide
CID 122326929
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122324679
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121120827
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53014407
4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325518
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317893
2-(2,4-dichlorophenoxy)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122325285
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2,5-dimethylbenzamide
CID 56700210
4-bromo-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325605

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide (CID 122325476) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide is CCNc1nc(C)cc(NCCNC(=O)Cn2cnc(C)c(C)c2=O)n1.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is ZYUBNDADWNCMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-5-18-17-22-11(2)8-14(23-17)19-6-7-20-15(25)9-24-10-21-13(4)12(3)16(24)26/h8,10H,5-7,9H2,1-4H3,(H,20,25)(H2,18,19,22,23).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122325476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).