4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine

C18H25N7 — CID 146074300

IUPAC4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
SMILESCc1ncnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)c1C
InChIInChI=1S/C18H25N7/c1-14-15(2)20-13-21-17(14)24-9-11-25(12-10-24)18-19-6-5-16(22-18)23-7-3-4-8-23/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyJFGIJEXIMXFUFB-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.81
Rot. Bonds3

About 4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine

4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 146074300) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
PubChem CID146074300
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
SMILESCc1ncnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)c1C
InChIInChI=1S/C18H25N7/c1-14-15(2)20-13-21-17(14)24-9-11-25(12-10-24)18-19-6-5-16(22-18)23-7-3-4-8-23/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyJFGIJEXIMXFUFB-UHFFFAOYSA-N
XLogP1.81
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,5-dimethyl-6-[4-(4-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 163352081
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
N,N-dimethyl-6-[4-(4-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 171323717
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 146074348
1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163350972
2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 163345596
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine (CID 146074300) is 4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine is Cc1ncnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)c1C.
What is the InChIKey of 4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is JFGIJEXIMXFUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-14-15(2)20-13-21-17(14)24-9-11-25(12-10-24)18-19-6-5-16(22-18)23-7-3-4-8-23/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 339.45 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 146074300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).