2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine

C17H20N4 — CID 80984983

IUPAC2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(N2Cc3ccccc3C2)c1C
InChIInChI=1S/C17H20N4/c1-11-15(18-2)19-16(12-7-8-12)20-17(11)21-9-13-5-3-4-6-14(13)10-21/h3-6,12H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyFZQJYWMPDSZMCF-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.22
Rot. Bonds3

About 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine

2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80984983) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine
PubChem CID80984983
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(N2Cc3ccccc3C2)c1C
InChIInChI=1S/C17H20N4/c1-11-15(18-2)19-16(12-7-8-12)20-17(11)21-9-13-5-3-4-6-14(13)10-21/h3-6,12H,7-10H2,1-2H3,(H,18,19,20)
InChIKeyFZQJYWMPDSZMCF-UHFFFAOYSA-N
XLogP3.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine (CID 80984983) is 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(N2Cc3ccccc3C2)c1C.
What is the InChIKey of 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is FZQJYWMPDSZMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-11-15(18-2)19-16(12-7-8-12)20-17(11)21-9-13-5-3-4-6-14(13)10-21/h3-6,12H,7-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine?
2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 280.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(1,3-dihydroisoindol-2-yl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80984983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).