4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine

C16H26N4O2 — CID 84590088

IUPAC4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC(OCCN3CCCCC3)C2)n1
InChIInChI=1S/C16H26N4O2/c1-21-15-5-7-17-16(18-15)20-10-6-14(13-20)22-12-11-19-8-3-2-4-9-19/h5,7,14H,2-4,6,8-13H2,1H3
InChIKeyWLOQVEQYYPLXKA-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.57
Rot. Bonds6

About 4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine

4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine (PubChem CID 84590088) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
PubChem CID84590088
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC(OCCN3CCCCC3)C2)n1
InChIInChI=1S/C16H26N4O2/c1-21-15-5-7-17-16(18-15)20-10-6-14(13-20)22-12-11-19-8-3-2-4-9-19/h5,7,14H,2-4,6,8-13H2,1H3
InChIKeyWLOQVEQYYPLXKA-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine (CID 84590088) is 4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine is COc1ccnc(N2CCC(OCCN3CCCCC3)C2)n1.
What is the InChIKey of 4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The InChIKey is WLOQVEQYYPLXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-21-15-5-7-17-16(18-15)20-10-6-14(13-20)22-12-11-19-8-3-2-4-9-19/h5,7,14H,2-4,6,8-13H2,1H3.
What are the key properties of 4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine has a molecular weight of 306.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 84590088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).