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N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide

C21H23N5O — CID 112871878

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(NCc3cccc(C)c3)nc(C)n2)cc1
InChIInChI=1S/C21H23N5O/c1-14-5-4-6-17(11-14)13-22-20-12-21(24-15(2)23-20)26-19-9-7-18(8-10-19)25-16(3)27/h4-12H,13H2,1-3H3,(H,25,27)(H2,22,23,24,26)
InChIKeyYCHWJYIXZQYHLE-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.41
Rot. Bonds6

About N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112871878) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112871878
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(NCc3cccc(C)c3)nc(C)n2)cc1
InChIInChI=1S/C21H23N5O/c1-14-5-4-6-17(11-14)13-22-20-12-21(24-15(2)23-20)26-19-9-7-18(8-10-19)25-16(3)27/h4-12H,13H2,1-3H3,(H,25,27)(H2,22,23,24,26)
InChIKeyYCHWJYIXZQYHLE-UHFFFAOYSA-N
XLogP4.41
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide (CID 112871878) is N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(NCc3cccc(C)c3)nc(C)n2)cc1.
What is the InChIKey of N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is YCHWJYIXZQYHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-5-4-6-17(11-14)13-22-20-12-21(24-15(2)23-20)26-19-9-7-18(8-10-19)25-16(3)27/h4-12H,13H2,1-3H3,(H,25,27)(H2,22,23,24,26).
What are the key properties of N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112871878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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