5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C19H24N4 — CID 56820886

IUPAC5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)CCC2NCc1cnc(N2CCCC2)nc1
InChIInChI=1S/C19H24N4/c1-14-4-6-17-16(10-14)5-7-18(17)20-11-15-12-21-19(22-13-15)23-8-2-3-9-23/h4,6,10,12-13,18,20H,2-3,5,7-9,11H2,1H3
InChIKeyCBCRSMHAEMWHLO-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.16
Rot. Bonds4

About 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine

5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 56820886) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID56820886
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)CCC2NCc1cnc(N2CCCC2)nc1
InChIInChI=1S/C19H24N4/c1-14-4-6-17-16(10-14)5-7-18(17)20-11-15-12-21-19(22-13-15)23-8-2-3-9-23/h4,6,10,12-13,18,20H,2-3,5,7-9,11H2,1H3
InChIKeyCBCRSMHAEMWHLO-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 56820886) is 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)CCC2NCc1cnc(N2CCCC2)nc1.
What is the InChIKey of 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CBCRSMHAEMWHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-14-4-6-17-16(10-14)5-7-18(17)20-11-15-12-21-19(22-13-15)23-8-2-3-9-23/h4,6,10,12-13,18,20H,2-3,5,7-9,11H2,1H3.
What are the key properties of 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 308.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 56820886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).