1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine

C15H17N3 — CID 65412087

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)C1Cc2ccccc2C1
InChIInChI=1S/C15H17N3/c1-16-15(14-8-17-10-18-9-14)13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13,15-16H,6-7H2,1H3
InChIKeyWUNKDCIXTYGQJM-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.15
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 65412087) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID65412087
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)C1Cc2ccccc2C1
InChIInChI=1S/C15H17N3/c1-16-15(14-8-17-10-18-9-14)13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13,15-16H,6-7H2,1H3
InChIKeyWUNKDCIXTYGQJM-UHFFFAOYSA-N
XLogP2.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 65412087) is 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is WUNKDCIXTYGQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-16-15(14-8-17-10-18-9-14)13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13,15-16H,6-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 239.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 65412087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).