4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine

C20H28N6 — CID 171334065

IUPAC4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cccc(CCN2CCN(c3cc(N4CCCC4)ncn3)CC2)n1
InChIInChI=1S/C20H28N6/c1-17-5-4-6-18(23-17)7-10-24-11-13-26(14-12-24)20-15-19(21-16-22-20)25-8-2-3-9-25/h4-6,15-16H,2-3,7-14H2,1H3
InChIKeyHKIPSIUCFGCMJX-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.14
Rot. Bonds5

About 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine

4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine (PubChem CID 171334065) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
PubChem CID171334065
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cccc(CCN2CCN(c3cc(N4CCCC4)ncn3)CC2)n1
InChIInChI=1S/C20H28N6/c1-17-5-4-6-18(23-17)7-10-24-11-13-26(14-12-24)20-15-19(21-16-22-20)25-8-2-3-9-25/h4-6,15-16H,2-3,7-14H2,1H3
InChIKeyHKIPSIUCFGCMJX-UHFFFAOYSA-N
XLogP2.14
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 171334066
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171327083
4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171334151
1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 171907754
4-[6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 171326602
1-(6-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 133313558
N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 136527153
2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72921157
4-(4-but-3-ynylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
CID 133453675
4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 166604678
3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122282433
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine (CID 171334065) is 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine is Cc1cccc(CCN2CCN(c3cc(N4CCCC4)ncn3)CC2)n1.
What is the InChIKey of 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is HKIPSIUCFGCMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-17-5-4-6-18(23-17)7-10-24-11-13-26(14-12-24)20-15-19(21-16-22-20)25-8-2-3-9-25/h4-6,15-16H,2-3,7-14H2,1H3.
What are the key properties of 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 352.49 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 171334065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).