5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine

C11H10ClN3O — CID 80869678

IUPAC5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine
SMILESCc1cccc(Oc2nc(N)ncc2Cl)c1
InChIInChI=1S/C11H10ClN3O/c1-7-3-2-4-8(5-7)16-10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyRJTGYBMOOIOVFV-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.81
Rot. Bonds2

About 5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine

5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine (PubChem CID 80869678) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine
PubChem CID80869678
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine
SMILESCc1cccc(Oc2nc(N)ncc2Cl)c1
InChIInChI=1S/C11H10ClN3O/c1-7-3-2-4-8(5-7)16-10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyRJTGYBMOOIOVFV-UHFFFAOYSA-N
XLogP2.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine (CID 80869678) is 5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine is Cc1cccc(Oc2nc(N)ncc2Cl)c1.
What is the InChIKey of 5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine?
The InChIKey is RJTGYBMOOIOVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-3-2-4-8(5-7)16-10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine?
5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine has a molecular weight of 235.67 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80869678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).