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

C14H21N3O2 — CID 75503323

IUPAC4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCCC(C3(C)OCCO3)C2)n1
InChIInChI=1S/C14H21N3O2/c1-11-5-6-15-13(16-11)17-7-3-4-12(10-17)14(2)18-8-9-19-14/h5-6,12H,3-4,7-10H2,1-2H3
InChIKeyWVOWHTZMLVWMQY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds2

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

4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 75503323) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
PubChem CID75503323
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCCC(C3(C)OCCO3)C2)n1
InChIInChI=1S/C14H21N3O2/c1-11-5-6-15-13(16-11)17-7-3-4-12(10-17)14(2)18-8-9-19-14/h5-6,12H,3-4,7-10H2,1-2H3
InChIKeyWVOWHTZMLVWMQY-UHFFFAOYSA-N
XLogP1.76
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine (CID 75503323) is 4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine is Cc1ccnc(N2CCCC(C3(C)OCCO3)C2)n1.
What is the InChIKey of 4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is WVOWHTZMLVWMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-5-6-15-13(16-11)17-7-3-4-12(10-17)14(2)18-8-9-19-14/h5-6,12H,3-4,7-10H2,1-2H3.
What are the key properties of 4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine?
4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 263.34 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 75503323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).