2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide

C18H25N7O2 — CID 122293721

IUPAC2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
SMILESCc1nc(NCCNC(=O)Cn2cnc(C3CC3)cc2=O)cc(N(C)C)n1
InChIInChI=1S/C18H25N7O2/c1-12-22-15(9-16(23-12)24(2)3)19-6-7-20-17(26)10-25-11-21-14(8-18(25)27)13-4-5-13/h8-9,11,13H,4-7,10H2,1-3H3,(H,20,26)(H,19,22,23)
InChIKeyANWVJRVMCLVIBC-UHFFFAOYSA-N
MW371.45 g/mol
LogP0.51
Rot. Bonds8

About 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 122293721) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID122293721
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
SMILESCc1nc(NCCNC(=O)Cn2cnc(C3CC3)cc2=O)cc(N(C)C)n1
InChIInChI=1S/C18H25N7O2/c1-12-22-15(9-16(23-12)24(2)3)19-6-7-20-17(26)10-25-11-21-14(8-18(25)27)13-4-5-13/h8-9,11,13H,4-7,10H2,1-3H3,(H,20,26)(H,19,22,23)
InChIKeyANWVJRVMCLVIBC-UHFFFAOYSA-N
XLogP0.51
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122296485
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325150
2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 121074724
2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293653
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327311
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292864
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321294
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]acetamide
CID 122246756
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122294234
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-ethylbutanamide
CID 121074604
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide
CID 122293596
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122291212

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide (CID 122293721) is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide is Cc1nc(NCCNC(=O)Cn2cnc(C3CC3)cc2=O)cc(N(C)C)n1.
What is the InChIKey of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is ANWVJRVMCLVIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-12-22-15(9-16(23-12)24(2)3)19-6-7-20-17(26)10-25-11-21-14(8-18(25)27)13-4-5-13/h8-9,11,13H,4-7,10H2,1-3H3,(H,20,26)(H,19,22,23).
What are the key properties of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 371.45 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122293721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).