5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine

C14H22N4O — CID 114600863

IUPAC5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
SMILESCOc1cnc(N2CCCC(C3CCCN3)C2)nc1
InChIInChI=1S/C14H22N4O/c1-19-12-8-16-14(17-9-12)18-7-3-4-11(10-18)13-5-2-6-15-13/h8-9,11,13,15H,2-7,10H2,1H3
InChIKeyNMGYQBJAEUKOSZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.45
Rot. Bonds3

About 5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine

5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 114600863) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
PubChem CID114600863
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
SMILESCOc1cnc(N2CCCC(C3CCCN3)C2)nc1
InChIInChI=1S/C14H22N4O/c1-19-12-8-16-14(17-9-12)18-7-3-4-11(10-18)13-5-2-6-15-13/h8-9,11,13,15H,2-7,10H2,1H3
InChIKeyNMGYQBJAEUKOSZ-UHFFFAOYSA-N
XLogP1.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine (CID 114600863) is 5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine is COc1cnc(N2CCCC(C3CCCN3)C2)nc1.
What is the InChIKey of 5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is NMGYQBJAEUKOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-19-12-8-16-14(17-9-12)18-7-3-4-11(10-18)13-5-2-6-15-13/h8-9,11,13,15H,2-7,10H2,1H3.
What are the key properties of 5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 262.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 114600863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).