2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide

C18H24N4O5 — CID 109323649

IUPAC2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
SMILESCOCCNc1nc(C)cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C18H24N4O5/c1-11-8-13(22-18(20-11)19-6-7-24-2)17(23)21-12-9-14(25-3)16(27-5)15(10-12)26-4/h8-10H,6-7H2,1-5H3,(H,21,23)(H,19,20,22)
InChIKeyLLWGPZOKTZTHAY-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.12
Rot. Bonds9

About 2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide

2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109323649) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109323649
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
SMILESCOCCNc1nc(C)cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C18H24N4O5/c1-11-8-13(22-18(20-11)19-6-7-24-2)17(23)21-12-9-14(25-3)16(27-5)15(10-12)26-4/h8-10H,6-7H2,1-5H3,(H,21,23)(H,19,20,22)
InChIKeyLLWGPZOKTZTHAY-UHFFFAOYSA-N
XLogP2.12
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.12
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

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323660
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323620
N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323658
2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109323629
N-(3,5-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318961
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109324016
N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109320007
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109311828
1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122324795
6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109321155
N-(3,4-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318960
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323716

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide (CID 109323649) is 2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide is COCCNc1nc(C)cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is LLWGPZOKTZTHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-11-8-13(22-18(20-11)19-6-7-24-2)17(23)21-12-9-14(25-3)16(27-5)15(10-12)26-4/h8-10H,6-7H2,1-5H3,(H,21,23)(H,19,20,22).
What are the key properties of 2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide?
2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109323649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).