4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine

C20H29N5 — CID 133317098

IUPAC4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
SMILESCc1nc(-c2cccnc2)nc(N2CCN(CCC(C)C)CC2)c1C
InChIInChI=1S/C20H29N5/c1-15(2)7-9-24-10-12-25(13-11-24)20-16(3)17(4)22-19(23-20)18-6-5-8-21-14-18/h5-6,8,14-15H,7,9-13H2,1-4H3
InChIKeyVUMDLSWOAYCQJF-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.32
Rot. Bonds5

About 4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine

4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine (PubChem CID 133317098) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
PubChem CID133317098
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
SMILESCc1nc(-c2cccnc2)nc(N2CCN(CCC(C)C)CC2)c1C
InChIInChI=1S/C20H29N5/c1-15(2)7-9-24-10-12-25(13-11-24)20-16(3)17(4)22-19(23-20)18-6-5-8-21-14-18/h5-6,8,14-15H,7,9-13H2,1-4H3
InChIKeyVUMDLSWOAYCQJF-UHFFFAOYSA-N
XLogP3.32
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine (CID 133317098) is 4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine is Cc1nc(-c2cccnc2)nc(N2CCN(CCC(C)C)CC2)c1C.
What is the InChIKey of 4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine?
The InChIKey is VUMDLSWOAYCQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-15(2)7-9-24-10-12-25(13-11-24)20-16(3)17(4)22-19(23-20)18-6-5-8-21-14-18/h5-6,8,14-15H,7,9-13H2,1-4H3.
What are the key properties of 4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine?
4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine has a molecular weight of 339.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 133317098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).