2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C21H23N5O3 — CID 109309086

IUPAC2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2nccc(C(=O)N(C)CCc3ccncc3)n2)c1
InChIInChI=1S/C21H23N5O3/c1-26(13-9-15-6-10-22-11-7-15)20(27)17-8-12-23-21(24-17)25-18-14-16(28-2)4-5-19(18)29-3/h4-8,10-12,14H,9,13H2,1-3H3,(H,23,24,25)
InChIKeyQYFCZHUOMFYRKG-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.95
Rot. Bonds8

About 2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109309086) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109309086
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2nccc(C(=O)N(C)CCc3ccncc3)n2)c1
InChIInChI=1S/C21H23N5O3/c1-26(13-9-15-6-10-22-11-7-15)20(27)17-8-12-23-21(24-17)25-18-14-16(28-2)4-5-19(18)29-3/h4-8,10-12,14H,9,13H2,1-3H3,(H,23,24,25)
InChIKeyQYFCZHUOMFYRKG-UHFFFAOYSA-N
XLogP2.95
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895655
2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313029
5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237038
2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109308678
2-[(2-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109306143
N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307463
5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285036
2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296243
2-(1,3-benzodioxol-5-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309098
2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309090
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214693
2-(3-chloro-4-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309074

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 109309086) is 2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is COc1ccc(OC)c(Nc2nccc(C(=O)N(C)CCc3ccncc3)n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is QYFCZHUOMFYRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-26(13-9-15-6-10-22-11-7-15)20(27)17-8-12-23-21(24-17)25-18-14-16(28-2)4-5-19(18)29-3/h4-8,10-12,14H,9,13H2,1-3H3,(H,23,24,25).
What are the key properties of 2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109309086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).