2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine

C17H23N7 — CID 10358975

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
SMILESNc1cc(N2CCCC2)nc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C17H23N7/c18-14-12-15(22-6-1-2-7-22)21-16(13-14)23-8-10-24(11-9-23)17-19-4-3-5-20-17/h3-5,12-13H,1-2,6-11H2,(H2,18,21)
InChIKeyPYISANNRJVFBRF-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.38
Rot. Bonds3

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine

2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine (PubChem CID 10358975) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
PubChem CID10358975
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
SMILESNc1cc(N2CCCC2)nc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C17H23N7/c18-14-12-15(22-6-1-2-7-22)21-16(13-14)23-8-10-24(11-9-23)17-19-4-3-5-20-17/h3-5,12-13H,1-2,6-11H2,(H2,18,21)
InChIKeyPYISANNRJVFBRF-UHFFFAOYSA-N
XLogP1.38
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine
CID 104918719
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112879979
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80939063
2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine
CID 137449340
2-N-methyl-6-pyrrolidin-1-ylpyridine-2,4-diamine
CID 10241677
2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 112875578
6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
CID 70929943
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride
CID 174800980

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine (CID 10358975) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine is Nc1cc(N2CCCC2)nc(N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine?
The InChIKey is PYISANNRJVFBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c18-14-12-15(22-6-1-2-7-22)21-16(13-14)23-8-10-24(11-9-23)17-19-4-3-5-20-17/h3-5,12-13H,1-2,6-11H2,(H2,18,21).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine?
2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine is sourced from PubChem (CID 10358975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).