1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone

C19H25N5O2 — CID 112934992

IUPAC1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCOCCNc1nc(-c2ccccc2)cc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-15(25)23-9-11-24(12-10-23)18-14-17(16-6-4-3-5-7-16)21-19(22-18)20-8-13-26-2/h3-7,14H,8-13H2,1-2H3,(H,20,21,22)
InChIKeyAHHMVAPKWAAJCF-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.87
Rot. Bonds6

About 1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 112934992) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID112934992
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCOCCNc1nc(-c2ccccc2)cc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-15(25)23-9-11-24(12-10-23)18-14-17(16-6-4-3-5-7-16)21-19(22-18)20-8-13-26-2/h3-7,14H,8-13H2,1-2H3,(H,20,21,22)
InChIKeyAHHMVAPKWAAJCF-UHFFFAOYSA-N
XLogP1.87
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Gdc-0349
CID 59239165
L-375378
CID 154118
4-(Morpholin-4-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815439
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)propionamide
CID 11438116
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
4-(4-Methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 25129523
N-(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 6426822
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
CID 11762017

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone (CID 112934992) is 1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone is COCCNc1nc(-c2ccccc2)cc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is AHHMVAPKWAAJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-15(25)23-9-11-24(12-10-23)18-14-17(16-6-4-3-5-7-16)21-19(22-18)20-8-13-26-2/h3-7,14H,8-13H2,1-2H3,(H,20,21,22).
What are the key properties of 1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112934992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).