6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride

C12H14ClN3O — CID 3051320

IUPAC6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride
SMILESCc1cc(N)nc(COc2ccccc2)n1.Cl
InChIInChI=1S/C12H13N3O.ClH/c1-9-7-11(13)15-12(14-9)8-16-10-5-3-2-4-6-10;/h2-7H,8H2,1H3,(H2,13,14,15);1H
InChIKeyNIPYUACHLAPXHV-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.37
Rot. Bonds3

About 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride

6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride (PubChem CID 3051320) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride
PubChem CID3051320
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride
SMILESCc1cc(N)nc(COc2ccccc2)n1.Cl
InChIInChI=1S/C12H13N3O.ClH/c1-9-7-11(13)15-12(14-9)8-16-10-5-3-2-4-6-10;/h2-7H,8H2,1H3,(H2,13,14,15);1H
InChIKeyNIPYUACHLAPXHV-UHFFFAOYSA-N
XLogP2.37
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride (CID 3051320) is 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride is Cc1cc(N)nc(COc2ccccc2)n1.Cl.
What is the InChIKey of 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride?
The InChIKey is NIPYUACHLAPXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.ClH/c1-9-7-11(13)15-12(14-9)8-16-10-5-3-2-4-6-10;/h2-7H,8H2,1H3,(H2,13,14,15);1H.
What are the key properties of 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride?
6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(phenoxymethyl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 3051320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).