1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone

C20H19N3O2 — CID 721063

IUPAC1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C)nc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-12-19(25-18-10-8-17(9-11-18)15(2)24)23-20(22-14)21-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyYNCSWZUYXNYUGA-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.39
Rot. Bonds6

About 1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone

1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone (PubChem CID 721063) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone
PubChem CID721063
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C)nc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-12-19(25-18-10-8-17(9-11-18)15(2)24)23-20(22-14)21-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyYNCSWZUYXNYUGA-UHFFFAOYSA-N
XLogP4.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(2-chloro-6-methylpyrimidin-4-yloxy)benzoate
CID 1929655
1-[4-(6-Methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]ethanone
CID 697265
4-((2-(Benzylamino)-6-methylpyrimidin-4-yl)oxy)benzonitrile
CID 1927680
4-[(2,6-Diphenyl-4-pyrimidinyl)oxy]benzaldehyde
CID 1082031
(E)-3-anilino-1-[4-(2-pyrimidinyloxy)phenyl]-2-propen-1-one
CID 5525005
4-Methoxy-N-(6-phenyl-pyrimidin-4-yl)-benzamide
CID 10709706
N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)-4-(trifluoromethoxy)benzamide
CID 45485018
1-[4-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenyl]ethanone
CID 53317912
4-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]benzamide
CID 53318738
1-[3-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenyl]ethanone
CID 53321839
N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine
CID 697245
4-(4-Methoxybenzyl)-6-[1-(phenylcarbonyl)piperidin-4-yl]pyrimidin-2-amine
CID 15428768

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone?
The IUPAC name of 1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone (CID 721063) is 1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone?
The canonical SMILES for 1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone is CC(=O)c1ccc(Oc2cc(C)nc(NCc3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone?
The InChIKey is YNCSWZUYXNYUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-12-19(25-18-10-8-17(9-11-18)15(2)24)23-20(22-14)21-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22,23).
What are the key properties of 1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone?
1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone has a molecular weight of 333.39 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone is sourced from PubChem (CID 721063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).