1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine

C14H17N3O — CID 112747602

IUPAC1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cnc(OC)nc2)cc1
InChIInChI=1S/C14H17N3O/c1-10(15-2)11-4-6-12(7-5-11)13-8-16-14(18-3)17-9-13/h4-10,15H,1-3H3
InChIKeyBAITZZDKHUQSBB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine

1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine (PubChem CID 112747602) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine
PubChem CID112747602
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cnc(OC)nc2)cc1
InChIInChI=1S/C14H17N3O/c1-10(15-2)11-4-6-12(7-5-11)13-8-16-14(18-3)17-9-13/h4-10,15H,1-3H3
InChIKeyBAITZZDKHUQSBB-UHFFFAOYSA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine (CID 112747602) is 1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine is CNC(C)c1ccc(-c2cnc(OC)nc2)cc1.
What is the InChIKey of 1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine?
The InChIKey is BAITZZDKHUQSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(15-2)11-4-6-12(7-5-11)13-8-16-14(18-3)17-9-13/h4-10,15H,1-3H3.
What are the key properties of 1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine?
1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxypyrimidin-5-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 112747602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).