1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone

C19H18N4O — CID 112865016

IUPAC1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cc(N(C)c3ccccc3)ncn2)c1
InChIInChI=1S/C19H18N4O/c1-14(24)15-7-6-8-16(11-15)22-18-12-19(21-13-20-18)23(2)17-9-4-3-5-10-17/h3-13H,1-2H3,(H,20,21,22)
InChIKeyORJCUZYKMZWPQU-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.19
Rot. Bonds5

About 1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone

1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone (PubChem CID 112865016) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
PubChem CID112865016
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cc(N(C)c3ccccc3)ncn2)c1
InChIInChI=1S/C19H18N4O/c1-14(24)15-7-6-8-16(11-15)22-18-12-19(21-13-20-18)23(2)17-9-4-3-5-10-17/h3-13H,1-2H3,(H,20,21,22)
InChIKeyORJCUZYKMZWPQU-UHFFFAOYSA-N
XLogP4.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

1-[3-[[6-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112860525
1-[3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866236
1-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865840
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334
1-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865643
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864985
6-N-(3-chloro-4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864998
1-[3-[[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112857842
1-[3-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865510
methyl 3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]benzoate
CID 112866713
1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112863902

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone (CID 112865016) is 1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2cc(N(C)c3ccccc3)ncn2)c1.
What is the InChIKey of 1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone?
The InChIKey is ORJCUZYKMZWPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14(24)15-7-6-8-16(11-15)22-18-12-19(21-13-20-18)23(2)17-9-4-3-5-10-17/h3-13H,1-2H3,(H,20,21,22).
What are the key properties of 1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone?
1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone has a molecular weight of 318.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112865016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).