N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine

C14H16ClN3O — CID 62748837

IUPACN-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccnc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-19-9-8-16-10-11-6-7-17-14(18-11)12-4-2-3-5-13(12)15/h2-7,16H,8-10H2,1H3
InChIKeyAXLDIILJLSTNMZ-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.53
Rot. Bonds6

About N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine

N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 62748837) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID62748837
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccnc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-19-9-8-16-10-11-6-7-17-14(18-11)12-4-2-3-5-13(12)15/h2-7,16H,8-10H2,1H3
InChIKeyAXLDIILJLSTNMZ-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

N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62749359
N-[[2-(2-chlorophenyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62755352
N-[[2-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 63022499
N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 115534303
N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 106815497
2-methoxy-N-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62744312
N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954879
2-methoxy-N-[[2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-yl]methyl]ethanamine
CID 115388786
2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine
CID 62748475
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62748294
N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine
CID 46785106
4-bromo-2-(2-chlorophenyl)pyrimidine
CID 82305706

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine (CID 62748837) is N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine is COCCNCc1ccnc(-c2ccccc2Cl)n1.
What is the InChIKey of N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is AXLDIILJLSTNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-19-9-8-16-10-11-6-7-17-14(18-11)12-4-2-3-5-13(12)15/h2-7,16H,8-10H2,1H3.
What are the key properties of N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine?
N-[[2-(2-chlorophenyl)pyrimidin-4-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-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62748837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).