4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine

C19H26N6 — CID 178065871

IUPAC4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine
SMILESNCCN1CCN(c2ccnc(NC3Cc4ccccc4C3)n2)CC1
InChIInChI=1S/C19H26N6/c20-6-8-24-9-11-25(12-10-24)18-5-7-21-19(23-18)22-17-13-15-3-1-2-4-16(15)14-17/h1-5,7,17H,6,8-14,20H2,(H,21,22,23)
InChIKeyOJELJTZNEBXELI-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.14
Rot. Bonds5

About 4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine

4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine (PubChem CID 178065871) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine
PubChem CID178065871
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine
SMILESNCCN1CCN(c2ccnc(NC3Cc4ccccc4C3)n2)CC1
InChIInChI=1S/C19H26N6/c20-6-8-24-9-11-25(12-10-24)18-5-7-21-19(23-18)22-17-13-15-3-1-2-4-16(15)14-17/h1-5,7,17H,6,8-14,20H2,(H,21,22,23)
InChIKeyOJELJTZNEBXELI-UHFFFAOYSA-N
XLogP1.14
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine (CID 178065871) is 4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine is NCCN1CCN(c2ccnc(NC3Cc4ccccc4C3)n2)CC1.
What is the InChIKey of 4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine?
The InChIKey is OJELJTZNEBXELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c20-6-8-24-9-11-25(12-10-24)18-5-7-21-19(23-18)22-17-13-15-3-1-2-4-16(15)14-17/h1-5,7,17H,6,8-14,20H2,(H,21,22,23).
What are the key properties of 4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine?
4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine has a molecular weight of 338.46 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 178065871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).