4-benzyl-5-methoxypyrimidin-2-amine

C12H13N3O — CID 154082618

IUPAC4-benzyl-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(N)nc1Cc1ccccc1
InChIInChI=1S/C12H13N3O/c1-16-11-8-14-12(13)15-10(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,13,14,15)
InChIKeyUQVADGKRJSPTBY-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.66
Rot. Bonds3

About 4-benzyl-5-methoxypyrimidin-2-amine

4-benzyl-5-methoxypyrimidin-2-amine (PubChem CID 154082618) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-benzyl-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-benzyl-5-methoxypyrimidin-2-amine
PubChem CID154082618
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-benzyl-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(N)nc1Cc1ccccc1
InChIInChI=1S/C12H13N3O/c1-16-11-8-14-12(13)15-10(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,13,14,15)
InChIKeyUQVADGKRJSPTBY-UHFFFAOYSA-N
XLogP1.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-methoxypyrimidin-2-amine?
The IUPAC name of 4-benzyl-5-methoxypyrimidin-2-amine (CID 154082618) is 4-benzyl-5-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-benzyl-5-methoxypyrimidin-2-amine?
The canonical SMILES for 4-benzyl-5-methoxypyrimidin-2-amine is COc1cnc(N)nc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-methoxypyrimidin-2-amine?
The InChIKey is UQVADGKRJSPTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-11-8-14-12(13)15-10(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,13,14,15).
What are the key properties of 4-benzyl-5-methoxypyrimidin-2-amine?
4-benzyl-5-methoxypyrimidin-2-amine has a molecular weight of 215.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 154082618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).