2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide

C22H25N5O2 — CID 109317672

IUPAC2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2nccc(C(=O)Nc3cccc(OC)c3)n2)cc1
InChIInChI=1S/C22H25N5O2/c1-4-27(5-2)18-11-9-16(10-12-18)25-22-23-14-13-20(26-22)21(28)24-17-7-6-8-19(15-17)29-3/h6-15H,4-5H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyXMLOZSVYRWOVDV-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.33
Rot. Bonds8

About 2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide

2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109317672) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109317672
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2nccc(C(=O)Nc3cccc(OC)c3)n2)cc1
InChIInChI=1S/C22H25N5O2/c1-4-27(5-2)18-11-9-16(10-12-18)25-22-23-14-13-20(26-22)21(28)24-17-7-6-8-19(15-17)29-3/h6-15H,4-5H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyXMLOZSVYRWOVDV-UHFFFAOYSA-N
XLogP4.33
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109310751
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315291
N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317646
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
N-[4-(diethylamino)phenyl]-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318417
2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109313491
N-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306963
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109295866

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide (CID 109317672) is 2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide is CCN(CC)c1ccc(Nc2nccc(C(=O)Nc3cccc(OC)c3)n2)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is XMLOZSVYRWOVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-4-27(5-2)18-11-9-16(10-12-18)25-22-23-14-13-20(26-22)21(28)24-17-7-6-8-19(15-17)29-3/h6-15H,4-5H2,1-3H3,(H,24,28)(H,23,25,26).
What are the key properties of 2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).