1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone

C15H17N3O2 — CID 163344818

IUPAC1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone
SMILESCOCCNc1ncc(-c2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C15H17N3O2/c1-11(19)12-4-3-5-13(8-12)14-9-17-15(18-10-14)16-6-7-20-2/h3-5,8-10H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyNMYHCDPURBEPIJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.40
Rot. Bonds6

About 1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone

1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone (PubChem CID 163344818) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone
PubChem CID163344818
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone
SMILESCOCCNc1ncc(-c2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C15H17N3O2/c1-11(19)12-4-3-5-13(8-12)14-9-17-15(18-10-14)16-6-7-20-2/h3-5,8-10H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyNMYHCDPURBEPIJ-UHFFFAOYSA-N
XLogP2.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 163343919
N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251583
2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251797
methyl 4-(3-acetylphenyl)pyridine-2-carboxylate
CID 164543652
N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853174
1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126474461
N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116963
N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone
CID 126470343
4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 118787053
1-[5-anilino-3-(2-methoxyethylamino)pyrimido[4,5-c]quinolin-8-yl]ethanone
CID 143638328
N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109248053

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone (CID 163344818) is 1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone is COCCNc1ncc(-c2cccc(C(C)=O)c2)cn1.
What is the InChIKey of 1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone?
The InChIKey is NMYHCDPURBEPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(19)12-4-3-5-13(8-12)14-9-17-15(18-10-14)16-6-7-20-2/h3-5,8-10H,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone?
1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone has a molecular weight of 271.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone is sourced from PubChem (CID 163344818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).