N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine

C14H17N3O — CID 46785129

IUPACN-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C14H17N3O/c1-3-15-10-12-8-9-16-14(17-12)11-4-6-13(18-2)7-5-11/h4-9,15H,3,10H2,1-2H3
InChIKeyUIFVFZRTVQYALG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds5

About N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine

N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 46785129) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID46785129
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C14H17N3O/c1-3-15-10-12-8-9-16-14(17-12)11-4-6-13(18-2)7-5-11/h4-9,15H,3,10H2,1-2H3
InChIKeyUIFVFZRTVQYALG-UHFFFAOYSA-N
XLogP2.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine (CID 46785129) is N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1ccnc(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is UIFVFZRTVQYALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-15-10-12-8-9-16-14(17-12)11-4-6-13(18-2)7-5-11/h4-9,15H,3,10H2,1-2H3.
What are the key properties of N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine?
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 46785129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).