2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine

C17H23N7 — CID 154853788

IUPAC2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(N2CCCC2)cc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C17H23N7/c1-14-20-15(22-6-2-3-7-22)12-16(21-14)23-8-10-24(11-9-23)17-13-18-4-5-19-17/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyVQDLTVLRFPRISN-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.50
Rot. Bonds3

About 2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine

2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine (PubChem CID 154853788) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
PubChem CID154853788
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(N2CCCC2)cc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C17H23N7/c1-14-20-15(22-6-2-3-7-22)12-16(21-14)23-8-10-24(11-9-23)17-13-18-4-5-19-17/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyVQDLTVLRFPRISN-UHFFFAOYSA-N
XLogP1.50
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 154853730
3-piperidin-1-yl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazine
CID 171700804
2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
CID 165433055
4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole
CID 133272186
3-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 154830464
2-(4-iodopiperazin-1-yl)pyrazine
CID 143021662
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
2-(4-methylsulfanylpiperazin-1-yl)pyrazine
CID 142028272
2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 166605105
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
(3-fluoro-4-pyridinyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340576
4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 4584167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine (CID 154853788) is 2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine is Cc1nc(N2CCCC2)cc(N2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is VQDLTVLRFPRISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-14-20-15(22-6-2-3-7-22)12-16(21-14)23-8-10-24(11-9-23)17-13-18-4-5-19-17/h4-5,12-13H,2-3,6-11H2,1H3.
What are the key properties of 2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 325.42 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 154853788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).