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

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

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
1-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-4-yl]piperidin-3-ol
CID 134707232
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112884982
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
N-(2,3-dihydro-1H-inden-2-yl)-4-(1,3-oxazol-5-yl)pyrimidin-2-amine
CID 175982609
5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol
CID 23085954
4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517
4-N-cyclohexyl-2-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 134088618
N-cyclopropyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112882393
4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine
CID 112896317

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).