[5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine

C15H18ClN3O — CID 62672573

IUPAC[5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCc1ccc(Oc2cnc(C(C)C)nc2CN)c(Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-9(2)15-18-8-14(12(7-17)19-15)20-13-5-4-10(3)6-11(13)16/h4-6,8-9H,7,17H2,1-3H3
InChIKeyQTKCATFJPDPRIO-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.81
Rot. Bonds4

About [5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 62672573) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is [5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID62672573
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name[5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCc1ccc(Oc2cnc(C(C)C)nc2CN)c(Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-9(2)15-18-8-14(12(7-17)19-15)20-13-5-4-10(3)6-11(13)16/h4-6,8-9H,7,17H2,1-3H3
InChIKeyQTKCATFJPDPRIO-UHFFFAOYSA-N
XLogP3.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 62672573) is [5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine is Cc1ccc(Oc2cnc(C(C)C)nc2CN)c(Cl)c1.
What is the InChIKey of [5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is QTKCATFJPDPRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9(2)15-18-8-14(12(7-17)19-15)20-13-5-4-10(3)6-11(13)16/h4-6,8-9H,7,17H2,1-3H3.
What are the key properties of [5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 291.78 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 62672573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).