N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide

C19H18N4O — CID 25138212

IUPACN-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(-c3ccccc3)ncn2)ccc1C
InChIInChI=1S/C19H18N4O/c1-13-8-9-16(10-17(13)22-14(2)24)23-19-11-18(20-12-21-19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyUCTUSYYVGGFOAX-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.15
Rot. Bonds4

About N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide

N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 25138212) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID25138212
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(-c3ccccc3)ncn2)ccc1C
InChIInChI=1S/C19H18N4O/c1-13-8-9-16(10-17(13)22-14(2)24)23-19-11-18(20-12-21-19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyUCTUSYYVGGFOAX-UHFFFAOYSA-N
XLogP4.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide (CID 25138212) is N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1cc(Nc2cc(-c3ccccc3)ncn2)ccc1C.
What is the InChIKey of N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is UCTUSYYVGGFOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-8-9-16(10-17(13)22-14(2)24)23-19-11-18(20-12-21-19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide?
N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 25138212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).