4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine

C14H22N4 — CID 62958401

IUPAC4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
SMILESCc1ccnc(N2CCCC(C3CCCN3)C2)n1
InChIInChI=1S/C14H22N4/c1-11-6-8-16-14(17-11)18-9-3-4-12(10-18)13-5-2-7-15-13/h6,8,12-13,15H,2-5,7,9-10H2,1H3
InChIKeySAFFWINKHMYKEQ-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.75
Rot. Bonds2

About 4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine

4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 62958401) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
PubChem CID62958401
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
SMILESCc1ccnc(N2CCCC(C3CCCN3)C2)n1
InChIInChI=1S/C14H22N4/c1-11-6-8-16-14(17-11)18-9-3-4-12(10-18)13-5-2-7-15-13/h6,8,12-13,15H,2-5,7,9-10H2,1H3
InChIKeySAFFWINKHMYKEQ-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine (CID 62958401) is 4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine is Cc1ccnc(N2CCCC(C3CCCN3)C2)n1.
What is the InChIKey of 4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is SAFFWINKHMYKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-6-8-16-14(17-11)18-9-3-4-12(10-18)13-5-2-7-15-13/h6,8,12-13,15H,2-5,7,9-10H2,1H3.
What are the key properties of 4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 246.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 62958401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).