2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine

C13H15N3O — CID 162635633

IUPAC2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine
SMILESCOc1cnc(-c2ccc(CCN)cc2)nc1
InChIInChI=1S/C13H15N3O/c1-17-12-8-15-13(16-9-12)11-4-2-10(3-5-11)6-7-14/h2-5,8-9H,6-7,14H2,1H3
InChIKeyCQDXCQUZTWNYGW-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.65
Rot. Bonds4

About 2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine

2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine (PubChem CID 162635633) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine
PubChem CID162635633
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine
SMILESCOc1cnc(-c2ccc(CCN)cc2)nc1
InChIInChI=1S/C13H15N3O/c1-17-12-8-15-13(16-9-12)11-4-2-10(3-5-11)6-7-14/h2-5,8-9H,6-7,14H2,1H3
InChIKeyCQDXCQUZTWNYGW-UHFFFAOYSA-N
XLogP1.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methoxypyrimidin-2-yl)-N-methylaniline
CID 156821520
2-(4-methoxyphenyl)-5-(4-phenylbutyl)pyrimidine
CID 23361560
5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
CID 62756442
[4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid
CID 142404996
2-(5-methoxy-2-pyridinyl)ethanamine;hydrochloride
CID 86280253
5-methoxy-2-[4-(1H-pyrazol-4-yl)phenyl]pyrimidine
CID 155917002
2-(3,4-dichlorophenyl)-5-methoxypyrimidine
CID 118808074
2-(4-octylphenyl)-5-[8-[2-(4-octylphenyl)pyrimidin-5-yl]oxyoctoxy]pyrimidine
CID 86002094
2-(4-decylphenyl)-5-dodecoxypyrimidine
CID 14533413
5-tridecoxy-2-(4-tridecylphenyl)pyrimidine
CID 19863107
5-dodecoxy-2-(4-hexylphenyl)pyrimidine
CID 14533375
2-(4-dodecylphenyl)-5-heptoxypyrimidine
CID 19863100

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine (CID 162635633) is 2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine is COc1cnc(-c2ccc(CCN)cc2)nc1.
What is the InChIKey of 2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine?
The InChIKey is CQDXCQUZTWNYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-12-8-15-13(16-9-12)11-4-2-10(3-5-11)6-7-14/h2-5,8-9H,6-7,14H2,1H3.
What are the key properties of 2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine?
2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine has a molecular weight of 229.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxypyrimidin-2-yl)phenyl]ethanamine is sourced from PubChem (CID 162635633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).