6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine

C17H15N5O2 — CID 3234710

IUPAC6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3ccc4c(c3)OCO4)ncn2)cn1
InChIInChI=1S/C17H15N5O2/c1-11-6-19-13(7-18-11)8-20-17-5-14(21-9-22-17)12-2-3-15-16(4-12)24-10-23-15/h2-7,9H,8,10H2,1H3,(H,20,21,22)
InChIKeyIIPNHNYLSPMLRL-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.58
Rot. Bonds4

About 6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine

6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 3234710) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
PubChem CID3234710
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3ccc4c(c3)OCO4)ncn2)cn1
InChIInChI=1S/C17H15N5O2/c1-11-6-19-13(7-18-11)8-20-17-5-14(21-9-22-17)12-2-3-15-16(4-12)24-10-23-15/h2-7,9H,8,10H2,1H3,(H,20,21,22)
InChIKeyIIPNHNYLSPMLRL-UHFFFAOYSA-N
XLogP2.58
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine (CID 3234710) is 6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine is Cc1cnc(CNc2cc(-c3ccc4c(c3)OCO4)ncn2)cn1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is IIPNHNYLSPMLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-11-6-19-13(7-18-11)8-20-17-5-14(21-9-22-17)12-2-3-15-16(4-12)24-10-23-15/h2-7,9H,8,10H2,1H3,(H,20,21,22).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 321.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3234710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).