2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide

C18H24N4O3 — CID 109332388

IUPAC2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C18H24N4O3/c1-6-22(7-2)17(23)15-10-12(3)19-18(21-15)20-14-9-8-13(24-4)11-16(14)25-5/h8-11H,6-7H2,1-5H3,(H,19,20,21)
InChIKeyXNTORVXZVOWRRP-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.03
Rot. Bonds7

About 2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide

2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109332388) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
PubChem CID109332388
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C18H24N4O3/c1-6-22(7-2)17(23)15-10-12(3)19-18(21-15)20-14-9-8-13(24-4)11-16(14)25-5/h8-11H,6-7H2,1-5H3,(H,19,20,21)
InChIKeyXNTORVXZVOWRRP-UHFFFAOYSA-N
XLogP3.03
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109329593
2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328179
N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332354
4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918947
2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320356
2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332429
N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323908
N-(2,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324958
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928681
2-N-(2,4-dimethoxyphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930871
N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109310878
N-[3-[[2-(2,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931208

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide (CID 109332388) is 2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(C)nc(Nc2ccc(OC)cc2OC)n1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is XNTORVXZVOWRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-6-22(7-2)17(23)15-10-12(3)19-18(21-15)20-14-9-8-13(24-4)11-16(14)25-5/h8-11H,6-7H2,1-5H3,(H,19,20,21).
What are the key properties of 2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide?
2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).