N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide

C22H25N5O2 — CID 109366300

IUPACN-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(C(=O)NCCN(C)C)n1
InChIInChI=1S/C22H25N5O2/c1-16-24-20(22(28)23-13-14-27(2)3)15-21(25-16)26-17-9-11-19(12-10-17)29-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,23,28)(H,24,25,26)
InChIKeyCJQYIVXHJOEICY-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109366300) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide
PubChem CID109366300
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(C(=O)NCCN(C)C)n1
InChIInChI=1S/C22H25N5O2/c1-16-24-20(22(28)23-13-14-27(2)3)15-21(25-16)26-17-9-11-19(12-10-17)29-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,23,28)(H,24,25,26)
InChIKeyCJQYIVXHJOEICY-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366285
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366328
6-(3-chloro-4-fluoroanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366264
methyl 2-[[6-[2-(dimethylamino)ethylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109366288
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
6-anilino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372217
ethyl 4-[[6-[3-(dimethylamino)propylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109366834
N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109361864
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109366141
6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109371585
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366304
N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 109369513

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide (CID 109366300) is N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide is Cc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(C(=O)NCCN(C)C)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is CJQYIVXHJOEICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-24-20(22(28)23-13-14-27(2)3)15-21(25-16)26-17-9-11-19(12-10-17)29-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,23,28)(H,24,25,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109366300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).