N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C18H23N5 — CID 57395619

IUPACN-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2cc(NC3Cc4ccccc4C3)ncn2)CC1
InChIInChI=1S/C18H23N5/c1-22-6-8-23(9-7-22)18-12-17(19-13-20-18)21-16-10-14-4-2-3-5-15(14)11-16/h2-5,12-13,16H,6-11H2,1H3,(H,19,20,21)
InChIKeyJCKICZLJBGDRFO-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.81
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 57395619) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID57395619
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2cc(NC3Cc4ccccc4C3)ncn2)CC1
InChIInChI=1S/C18H23N5/c1-22-6-8-23(9-7-22)18-12-17(19-13-20-18)21-16-10-14-4-2-3-5-15(14)11-16/h2-5,12-13,16H,6-11H2,1H3,(H,19,20,21)
InChIKeyJCKICZLJBGDRFO-UHFFFAOYSA-N
XLogP1.81
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 57395619) is N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CN1CCN(c2cc(NC3Cc4ccccc4C3)ncn2)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is JCKICZLJBGDRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-22-6-8-23(9-7-22)18-12-17(19-13-20-18)21-16-10-14-4-2-3-5-15(14)11-16/h2-5,12-13,16H,6-11H2,1H3,(H,19,20,21).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 309.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 57395619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).