1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine

C13H15N3O — CID 117231082

IUPAC1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine
SMILESCc1ccc(-c2ncc(OC(C)N)cn2)cc1
InChIInChI=1S/C13H15N3O/c1-9-3-5-11(6-4-9)13-15-7-12(8-16-13)17-10(2)14/h3-8,10H,14H2,1-2H3
InChIKeySCELYDDXPGWPGK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.14
Rot. Bonds3

About 1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine

1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine (PubChem CID 117231082) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine
PubChem CID117231082
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine
SMILESCc1ccc(-c2ncc(OC(C)N)cn2)cc1
InChIInChI=1S/C13H15N3O/c1-9-3-5-11(6-4-9)13-15-7-12(8-16-13)17-10(2)14/h3-8,10H,14H2,1-2H3
InChIKeySCELYDDXPGWPGK-UHFFFAOYSA-N
XLogP2.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
CID 19436135
2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064783
1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine
CID 117230498
5-dodecoxy-2-(4-methylphenyl)pyrimidine
CID 18716574
N-methyl-3-[2-(4-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231256
ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane
CID 90990178
(4-methylphenyl) 2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 23542854
5-(4-methylphenyl)-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine
CID 21044112
2-(4-methylphenyl)-5-[(4-methylphenyl)methyl]pyrimidine
CID 59938712
4-[4-(1-aminoethoxy)phenyl]phenol
CID 163497782
[4-(5-methoxypyrimidin-2-yl)phenyl]boronic acid
CID 142404996
6-methyl-3-(4-methylphenyl)-1,2,4-triazine
CID 14241961

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine?
The IUPAC name of 1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine (CID 117231082) is 1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine.
What is the SMILES notation for 1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine?
The canonical SMILES for 1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine is Cc1ccc(-c2ncc(OC(C)N)cn2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine?
The InChIKey is SCELYDDXPGWPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-3-5-11(6-4-9)13-15-7-12(8-16-13)17-10(2)14/h3-8,10H,14H2,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine?
1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine has a molecular weight of 229.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine is sourced from PubChem (CID 117231082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).