N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine

C14H16ClN3O — CID 62755352

IUPACN-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(-c2ccccc2Cl)nc1
InChIInChI=1S/C14H16ClN3O/c1-19-7-6-16-8-11-9-17-14(18-10-11)12-4-2-3-5-13(12)15/h2-5,9-10,16H,6-8H2,1H3
InChIKeyQUYSCTNJSWYUBF-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.53
Rot. Bonds6

About N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine

N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine (PubChem CID 62755352) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
PubChem CID62755352
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(-c2ccccc2Cl)nc1
InChIInChI=1S/C14H16ClN3O/c1-19-7-6-16-8-11-9-17-14(18-10-11)12-4-2-3-5-13(12)15/h2-5,9-10,16H,6-8H2,1H3
InChIKeyQUYSCTNJSWYUBF-UHFFFAOYSA-N
XLogP2.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129
N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62748837
2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755354
2-methoxy-N-[[2-(phenylsulfanylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 65143216
2-methoxy-N-[[2-[methoxy(phenyl)methyl]pyrimidin-5-yl]methyl]ethanamine
CID 116778851
N-[[2-[(2,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62756617
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 116689533
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 63806826
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 102536065
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 63891754
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80638854

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine (CID 62755352) is N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine is COCCNCc1cnc(-c2ccccc2Cl)nc1.
What is the InChIKey of N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is QUYSCTNJSWYUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-19-7-6-16-8-11-9-17-14(18-10-11)12-4-2-3-5-13(12)15/h2-5,9-10,16H,6-8H2,1H3.
What are the key properties of N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 277.76 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62755352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).