4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine

C18H25N7 — CID 155980957

IUPAC4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESCc1ccc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)nn1
InChIInChI=1S/C18H25N7/c1-14-5-6-16(22-21-14)23-9-11-24(12-10-23)17-13-15(2)19-18(20-17)25-7-3-4-8-25/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyVCFTXIXPNKNTEY-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.81
Rot. Bonds3

About 4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine

4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 155980957) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID155980957
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESCc1ccc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)nn1
InChIInChI=1S/C18H25N7/c1-14-5-6-16(22-21-14)23-9-11-24(12-10-23)17-13-15(2)19-18(20-17)25-7-3-4-8-25/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyVCFTXIXPNKNTEY-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-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122282433
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
4-methyl-6-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155799816
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]azepane
CID 112922347
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
4-(2,5-dihydropyrrol-1-yl)-6-methyl-2-piperidin-1-ylpyrimidine
CID 134700618
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
3-methyl-5-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 163345429
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine (CID 155980957) is 4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine is Cc1ccc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)nn1.
What is the InChIKey of 4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is VCFTXIXPNKNTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-14-5-6-16(22-21-14)23-9-11-24(12-10-23)17-13-15(2)19-18(20-17)25-7-3-4-8-25/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine?
4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine 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-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 155980957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).