2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide

C21H21N5O3 — CID 159634917

IUPAC2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1Cc1ncc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C21H21N5O3/c1-13(27)24-16-8-9-18(29-2)14(10-16)11-19-23-12-17(20(22)28)21(26-19)25-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H2,22,28)(H,24,27)(H,23,25,26)
InChIKeyMPPQAKGQYQWFBG-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.88
Rot. Bonds7

About 2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide

2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide (PubChem CID 159634917) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide
PubChem CID159634917
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1Cc1ncc(C(N)=O)c(Nc2ccccc2)n1
InChIInChI=1S/C21H21N5O3/c1-13(27)24-16-8-9-18(29-2)14(10-16)11-19-23-12-17(20(22)28)21(26-19)25-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H2,22,28)(H,24,27)(H,23,25,26)
InChIKeyMPPQAKGQYQWFBG-UHFFFAOYSA-N
XLogP2.88
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 71237726
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
3-(5-acetamido-2-methoxyphenyl)-2-aminopropanoic acid
CID 82481451
2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
CID 22958832
4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 59145704
N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide
CID 96659275
2-(3-acetamidoanilino)-4-[[(2S)-2-phenylpropyl]amino]pyrimidine-5-carboxamide
CID 66841229
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-4-(3,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 59199817

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide?
The IUPAC name of 2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide (CID 159634917) is 2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide?
The canonical SMILES for 2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide is COc1ccc(NC(C)=O)cc1Cc1ncc(C(N)=O)c(Nc2ccccc2)n1.
What is the InChIKey of 2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide?
The InChIKey is MPPQAKGQYQWFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-13(27)24-16-8-9-18(29-2)14(10-16)11-19-23-12-17(20(22)28)21(26-19)25-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H2,22,28)(H,24,27)(H,23,25,26).
What are the key properties of 2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide?
2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-2-methoxyphenyl)methyl]-4-anilinopyrimidine-5-carboxamide is sourced from PubChem (CID 159634917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).