5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine

C18H16N4O2 — CID 10286494

IUPAC5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccccc2)nc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N4O2/c19-9-13-16(12-6-7-14-15(8-12)24-10-23-14)21-18(22-17(13)20)11-4-2-1-3-5-11/h1-8H,9-10,19H2,(H2,20,21,22)
InChIKeyHZKGSMYOOFRCTE-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.58
Rot. Bonds3

About 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine

5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine (PubChem CID 10286494) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine
PubChem CID10286494
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccccc2)nc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N4O2/c19-9-13-16(12-6-7-14-15(8-12)24-10-23-14)21-18(22-17(13)20)11-4-2-1-3-5-11/h1-8H,9-10,19H2,(H2,20,21,22)
InChIKeyHZKGSMYOOFRCTE-UHFFFAOYSA-N
XLogP2.58
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine (CID 10286494) is 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine is NCc1c(N)nc(-c2ccccc2)nc1-c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine?
The InChIKey is HZKGSMYOOFRCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-9-13-16(12-6-7-14-15(8-12)24-10-23-14)21-18(22-17(13)20)11-4-2-1-3-5-11/h1-8H,9-10,19H2,(H2,20,21,22).
What are the key properties of 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine?
5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine has a molecular weight of 320.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(1,3-benzodioxol-5-yl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 10286494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).