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

C16H26N4O — CID 75432365

IUPAC4-methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCC(OCCN3CCCCC3)C2)n1
InChIInChI=1S/C16H26N4O/c1-14-5-7-17-16(18-14)20-10-6-15(13-20)21-12-11-19-8-3-2-4-9-19/h5,7,15H,2-4,6,8-13H2,1H3
InChIKeyRJWGNEQKQUYMPT-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.87
Rot. Bonds5

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

4-methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine (PubChem CID 75432365) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
PubChem CID75432365
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCC(OCCN3CCCCC3)C2)n1
InChIInChI=1S/C16H26N4O/c1-14-5-7-17-16(18-14)20-10-6-15(13-20)21-12-11-19-8-3-2-4-9-19/h5,7,15H,2-4,6,8-13H2,1H3
InChIKeyRJWGNEQKQUYMPT-UHFFFAOYSA-N
XLogP1.87
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.87
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-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine (CID 75432365) is 4-methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine is Cc1ccnc(N2CCC(OCCN3CCCCC3)C2)n1.
What is the InChIKey of 4-methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The InChIKey is RJWGNEQKQUYMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-14-5-7-17-16(18-14)20-10-6-15(13-20)21-12-11-19-8-3-2-4-9-19/h5,7,15H,2-4,6,8-13H2,1H3.
What are the key properties of 4-methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
4-methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine has a molecular weight of 290.41 g/mol, XLogP of 1.87, 5 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-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 75432365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).