2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine

C20H28N6 — CID 138501614

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
SMILESCc1nc(CN2CCCC2c2ccccn2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C20H28N6/c1-16-22-17(14-20(23-16)25-12-10-24(2)11-13-25)15-26-9-5-7-19(26)18-6-3-4-8-21-18/h3-4,6,8,14,19H,5,7,9-13,15H2,1-2H3
InChIKeyWMAIZIZUSVPLPP-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.27
Rot. Bonds4

About 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine

2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine (PubChem CID 138501614) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
PubChem CID138501614
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
SMILESCc1nc(CN2CCCC2c2ccccn2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C20H28N6/c1-16-22-17(14-20(23-16)25-12-10-24(2)11-13-25)15-26-9-5-7-19(26)18-6-3-4-8-21-18/h3-4,6,8,14,19H,5,7,9-13,15H2,1-2H3
InChIKeyWMAIZIZUSVPLPP-UHFFFAOYSA-N
XLogP2.27
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine (CID 138501614) is 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine is Cc1nc(CN2CCCC2c2ccccn2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine?
The InChIKey is WMAIZIZUSVPLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-16-22-17(14-20(23-16)25-12-10-24(2)11-13-25)15-26-9-5-7-19(26)18-6-3-4-8-21-18/h3-4,6,8,14,19H,5,7,9-13,15H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine?
2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine has a molecular weight of 352.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 138501614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).