6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride

C13H16ClN3O — CID 3051321

IUPAC6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride
SMILESCc1cccc(OCc2nc(C)cc(N)n2)c1.Cl
InChIInChI=1S/C13H15N3O.ClH/c1-9-4-3-5-11(6-9)17-8-13-15-10(2)7-12(14)16-13;/h3-7H,8H2,1-2H3,(H2,14,15,16);1H
InChIKeyOVDGWGKKVBXCEA-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.68
Rot. Bonds3

About 6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride

6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride (PubChem CID 3051321) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride
PubChem CID3051321
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride
SMILESCc1cccc(OCc2nc(C)cc(N)n2)c1.Cl
InChIInChI=1S/C13H15N3O.ClH/c1-9-4-3-5-11(6-9)17-8-13-15-10(2)7-12(14)16-13;/h3-7H,8H2,1-2H3,(H2,14,15,16);1H
InChIKeyOVDGWGKKVBXCEA-UHFFFAOYSA-N
XLogP2.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride (CID 3051321) is 6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride is Cc1cccc(OCc2nc(C)cc(N)n2)c1.Cl.
What is the InChIKey of 6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride?
The InChIKey is OVDGWGKKVBXCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.ClH/c1-9-4-3-5-11(6-9)17-8-13-15-10(2)7-12(14)16-13;/h3-7H,8H2,1-2H3,(H2,14,15,16);1H.
What are the key properties of 6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride?
6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methylphenoxy)methyl]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 3051321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).