1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine

C15H18N4 — CID 83185473

IUPAC1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2Cc3ccccc3C2)nc1C
InChIInChI=1S/C15H18N4/c1-11-14(7-16-2)8-17-15(18-11)19-9-12-5-3-4-6-13(12)10-19/h3-6,8,16H,7,9-10H2,1-2H3
InChIKeyACRNTYRFRJHNMA-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.02
Rot. Bonds3

About 1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 83185473) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID83185473
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2Cc3ccccc3C2)nc1C
InChIInChI=1S/C15H18N4/c1-11-14(7-16-2)8-17-15(18-11)19-9-12-5-3-4-6-13(12)10-19/h3-6,8,16H,7,9-10H2,1-2H3
InChIKeyACRNTYRFRJHNMA-UHFFFAOYSA-N
XLogP2.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine (CID 83185473) is 1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(N2Cc3ccccc3C2)nc1C.
What is the InChIKey of 1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is ACRNTYRFRJHNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-14(7-16-2)8-17-15(18-11)19-9-12-5-3-4-6-13(12)10-19/h3-6,8,16H,7,9-10H2,1-2H3.
What are the key properties of 1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 254.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 83185473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).