2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide

C18H22N6O2 — CID 66841709

IUPAC2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N(C)C3CCC3)n2)c1
InChIInChI=1S/C18H22N6O2/c1-11(25)21-12-5-3-6-13(9-12)22-18-20-10-15(16(19)26)17(23-18)24(2)14-7-4-8-14/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H2,19,26)(H,21,25)(H,20,22,23)
InChIKeyOYQZCSVLWPNNDJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.27
Rot. Bonds6

About 2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide

2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide (PubChem CID 66841709) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide
PubChem CID66841709
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N(C)C3CCC3)n2)c1
InChIInChI=1S/C18H22N6O2/c1-11(25)21-12-5-3-6-13(9-12)22-18-20-10-15(16(19)26)17(23-18)24(2)14-7-4-8-14/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H2,19,26)(H,21,25)(H,20,22,23)
InChIKeyOYQZCSVLWPNNDJ-UHFFFAOYSA-N
XLogP2.27
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-acetamidoanilino)-4-(N-cyclopropylanilino)pyrimidine-5-carboxamide
CID 68757072
4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide
CID 68794445
N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 58098819
2-(3-acetamidoanilino)-4-[[(2S)-2-phenylpropyl]amino]pyrimidine-5-carboxamide
CID 66841229
4-(3-acetamidoanilino)-2-anilino-N-cyclopropylpyrimidine-5-carboxamide
CID 123814811
N-[3-[[5-acetyl-4-[[cyclopropyl(phenyl)methyl]amino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 90873122
3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
CID 157018298
2-(3-acetamidoanilino)-4-(pyrrolidin-3-ylmethylamino)pyrimidine-5-carboxylic acid
CID 58098802
4-(benzylamino)-2-[3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]anilino]pyrimidine-5-carboxamide
CID 58098906
2-[3-(methylamino)anilino]-4-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 70832990
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide (CID 66841709) is 2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide is CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N(C)C3CCC3)n2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide?
The InChIKey is OYQZCSVLWPNNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11(25)21-12-5-3-6-13(9-12)22-18-20-10-15(16(19)26)17(23-18)24(2)14-7-4-8-14/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H2,19,26)(H,21,25)(H,20,22,23).
What are the key properties of 2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide?
2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 66841709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).