4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine

C15H23N3O2 — CID 84588620

IUPAC4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCC(C3(C)OCCO3)CC2)n1
InChIInChI=1S/C15H23N3O2/c1-11-10-12(2)17-14(16-11)18-6-4-13(5-7-18)15(3)19-8-9-20-15/h10,13H,4-9H2,1-3H3
InChIKeyCNMGBJHFRKBGQI-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.07
Rot. Bonds2

About 4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine

4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 84588620) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
PubChem CID84588620
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCC(C3(C)OCCO3)CC2)n1
InChIInChI=1S/C15H23N3O2/c1-11-10-12(2)17-14(16-11)18-6-4-13(5-7-18)15(3)19-8-9-20-15/h10,13H,4-9H2,1-3H3
InChIKeyCNMGBJHFRKBGQI-UHFFFAOYSA-N
XLogP2.07
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine (CID 84588620) is 4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine is Cc1cc(C)nc(N2CCC(C3(C)OCCO3)CC2)n1.
What is the InChIKey of 4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is CNMGBJHFRKBGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-10-12(2)17-14(16-11)18-6-4-13(5-7-18)15(3)19-8-9-20-15/h10,13H,4-9H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine?
4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 277.37 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 84588620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).