N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide

C20H21N5O — CID 138729673

IUPACN-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C)c(Nc3cccc(C)c3)n2)c1
InChIInChI=1S/C20H21N5O/c1-13-6-4-7-16(10-13)23-19-14(2)12-21-20(25-19)24-18-9-5-8-17(11-18)22-15(3)26/h4-12H,1-3H3,(H,22,26)(H2,21,23,24,25)
InChIKeyAGSUTOIBUHKWLQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.54
Rot. Bonds5

About N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide

N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 138729673) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID138729673
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C)c(Nc3cccc(C)c3)n2)c1
InChIInChI=1S/C20H21N5O/c1-13-6-4-7-16(10-13)23-19-14(2)12-21-20(25-19)24-18-9-5-8-17(11-18)22-15(3)26/h4-12H,1-3H3,(H,22,26)(H2,21,23,24,25)
InChIKeyAGSUTOIBUHKWLQ-UHFFFAOYSA-N
XLogP4.54
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
CID 91476448
N-[3-[[2-(anilino)-5-methylpyrimidin-4-yl]amino]phenyl]-2,2,3,3-tetramethylbutanamide;yttrium
CID 158123394
N-(3-methylphenyl)acetamide
CID 10843
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 105367745
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one
CID 44594831
2-fluoro-N-[3-[[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 146424360
N-[3-[[2-[(6-methoxy-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 89432656
N-[3-[[2-(3-butoxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 148718366
N-[2,4-bis(3-methylanilino)pyrimidin-5-yl]-3-fluorobenzamide
CID 15990271
1-[4-[[2-(4-acetylanilino)-5-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 5271605

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide (CID 138729673) is N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncc(C)c(Nc3cccc(C)c3)n2)c1.
What is the InChIKey of N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is AGSUTOIBUHKWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-6-4-7-16(10-13)23-19-14(2)12-21-20(25-19)24-18-9-5-8-17(11-18)22-15(3)26/h4-12H,1-3H3,(H,22,26)(H2,21,23,24,25).
What are the key properties of N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 138729673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).