N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide

C23H32N8O4 — CID 55596194

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H32N8O4/c1-7-8-30-20(24)19(21(33)27-23(30)34)29(9-10-35-6)18(32)12-17-15(4)28-31(16(17)5)22-25-13(2)11-14(3)26-22/h11H,7-10,12,24H2,1-6H3,(H,27,33,34)
InChIKeyUJRHXPGKBBOBRI-UHFFFAOYSA-N
MW484.56 g/mol
LogP0.96
Rot. Bonds9

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 55596194) has the molecular formula C23H32N8O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide
PubChem CID55596194
Molecular FormulaC23H32N8O4
Molecular Weight484.56 g/mol
Exact Mass484.25
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H32N8O4/c1-7-8-30-20(24)19(21(33)27-23(30)34)29(9-10-35-6)18(32)12-17-15(4)28-31(16(17)5)22-25-13(2)11-14(3)26-22/h11H,7-10,12,24H2,1-6H3,(H,27,33,34)
InChIKeyUJRHXPGKBBOBRI-UHFFFAOYSA-N
XLogP0.96
TPSA154.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18225199
4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 2113064
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylacetamide
CID 55754402
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 4793993
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4793017
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea
CID 9095201
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,5-dichloro-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 39773263
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-ethoxy-3-methoxy-N-(2-methoxyethyl)benzamide
CID 55344791
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55344710
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 26291971
N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55582201
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 4791005

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide (CID 55596194) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide is CCCn1c(N)c(N(CCOC)C(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is UJRHXPGKBBOBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O4/c1-7-8-30-20(24)19(21(33)27-23(30)34)29(9-10-35-6)18(32)12-17-15(4)28-31(16(17)5)22-25-13(2)11-14(3)26-22/h11H,7-10,12,24H2,1-6H3,(H,27,33,34).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 484.56 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 55596194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).