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

C18H27N7 — CID 166604615

IUPAC4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCCC2)nc(N2CCN(Cc3ccnn3C)CC2)n1
InChIInChI=1S/C18H27N7/c1-15-13-17(24-7-3-4-8-24)21-18(20-15)25-11-9-23(10-12-25)14-16-5-6-19-22(16)2/h5-6,13H,3-4,7-12,14H2,1-2H3
InChIKeyGYOKFGSCKUHSMG-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.44
Rot. Bonds4

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

4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine (PubChem CID 166604615) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
PubChem CID166604615
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCCC2)nc(N2CCN(Cc3ccnn3C)CC2)n1
InChIInChI=1S/C18H27N7/c1-15-13-17(24-7-3-4-8-24)21-18(20-15)25-11-9-23(10-12-25)14-16-5-6-19-22(16)2/h5-6,13H,3-4,7-12,14H2,1-2H3
InChIKeyGYOKFGSCKUHSMG-UHFFFAOYSA-N
XLogP1.44
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166604642
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 146074504
5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 163349084
2-methyl-5-[[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 163352684
2-methyl-4-[[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrrolidin-1-ylpyrimidine
CID 92637994
4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155980957
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
2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 163345596
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine (CID 166604615) is 4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine is Cc1cc(N2CCCC2)nc(N2CCN(Cc3ccnn3C)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is GYOKFGSCKUHSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-15-13-17(24-7-3-4-8-24)21-18(20-15)25-11-9-23(10-12-25)14-16-5-6-19-22(16)2/h5-6,13H,3-4,7-12,14H2,1-2H3.
What are the key properties of 4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine?
4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 341.46 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 166604615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).