4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine

C15H17N3 — CID 133309901

IUPAC4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
SMILESCc1ccnc(NC2c3ccccc3CC2C)n1
InChIInChI=1S/C15H17N3/c1-10-9-12-5-3-4-6-13(12)14(10)18-15-16-8-7-11(2)17-15/h3-8,10,14H,9H2,1-2H3,(H,16,17,18)
InChIKeyJPSOAAFFLCCYHS-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.13
Rot. Bonds2

About 4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine

4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine (PubChem CID 133309901) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
PubChem CID133309901
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
SMILESCc1ccnc(NC2c3ccccc3CC2C)n1
InChIInChI=1S/C15H17N3/c1-10-9-12-5-3-4-6-13(12)14(10)18-15-16-8-7-11(2)17-15/h3-8,10,14H,9H2,1-2H3,(H,16,17,18)
InChIKeyJPSOAAFFLCCYHS-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine (CID 133309901) is 4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine is Cc1ccnc(NC2c3ccccc3CC2C)n1.
What is the InChIKey of 4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine?
The InChIKey is JPSOAAFFLCCYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-9-12-5-3-4-6-13(12)14(10)18-15-16-8-7-11(2)17-15/h3-8,10,14H,9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine?
4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 133309901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).