6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine

C15H18ClN3O2 — CID 115914756

IUPAC6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine
SMILESCOCCOCCNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18ClN3O2/c1-20-9-10-21-8-7-17-14-11-13(16)18-15(19-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,19)
InChIKeyWDCKFZNMOHXMGH-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.87
Rot. Bonds8

About 6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine

6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine (PubChem CID 115914756) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine
PubChem CID115914756
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine
SMILESCOCCOCCNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18ClN3O2/c1-20-9-10-21-8-7-17-14-11-13(16)18-15(19-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,19)
InChIKeyWDCKFZNMOHXMGH-UHFFFAOYSA-N
XLogP2.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.87
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

6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
6-chloro-N-pent-4-ynyl-2-phenylpyrimidin-4-amine
CID 106223074
N-(2-ethoxyethyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 115916133
6-N-(2-methoxyethyl)-2-phenyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112880243
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
6-N-(2-methoxyethyl)-2-phenyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112880306
methyl 3-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzoate
CID 112880344
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400
6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 114943692
2-[2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 115916179

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine (CID 115914756) is 6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine is COCCOCCNc1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine?
The InChIKey is WDCKFZNMOHXMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-20-9-10-21-8-7-17-14-11-13(16)18-15(19-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine?
6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine has a molecular weight of 307.78 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115914756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).