N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide

C18H23N5O5 — CID 135547465

IUPACN-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
SMILESCOc1ccc(OC)c(NCCc2c(NC(C)=O)nc(NC(C)=O)[nH]c2=O)c1
InChIInChI=1S/C18H23N5O5/c1-10(24)20-16-13(17(26)23-18(22-16)21-11(2)25)7-8-19-14-9-12(27-3)5-6-15(14)28-4/h5-6,9,19H,7-8H2,1-4H3,(H3,20,21,22,23,24,25,26)
InChIKeyDFPOYUIBXYLXCU-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.36
Rot. Bonds8

About N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide

N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide (PubChem CID 135547465) has the molecular formula C18H23N5O5 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
PubChem CID135547465
Molecular FormulaC18H23N5O5
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC NameN-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
SMILESCOc1ccc(OC)c(NCCc2c(NC(C)=O)nc(NC(C)=O)[nH]c2=O)c1
InChIInChI=1S/C18H23N5O5/c1-10(24)20-16-13(17(26)23-18(22-16)21-11(2)25)7-8-19-14-9-12(27-3)5-6-15(14)28-4/h5-6,9,19H,7-8H2,1-4H3,(H3,20,21,22,23,24,25,26)
InChIKeyDFPOYUIBXYLXCU-UHFFFAOYSA-N
XLogP1.36
TPSA134.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methoxy-2-(2-phenylethylamino)phenyl]acetamide
CID 75438254
2,5-dimethoxy-N-(3-methylbut-3-enyl)aniline
CID 114471918
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54797025
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
3-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109040419
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-(2,5-dimethoxyanilino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561089
ethyl 3-[2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
CID 135931789
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807795
N-(2,5-dimethoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135543404

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide (CID 135547465) is N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide is COc1ccc(OC)c(NCCc2c(NC(C)=O)nc(NC(C)=O)[nH]c2=O)c1.
What is the InChIKey of N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide?
The InChIKey is DFPOYUIBXYLXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5/c1-10(24)20-16-13(17(26)23-18(22-16)21-11(2)25)7-8-19-14-9-12(27-3)5-6-15(14)28-4/h5-6,9,19H,7-8H2,1-4H3,(H3,20,21,22,23,24,25,26).
What are the key properties of N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide?
N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide has a molecular weight of 389.41 g/mol, XLogP of 1.36, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide is sourced from PubChem (CID 135547465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).