2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine

C16H27N5 — CID 56705904

IUPAC2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine
SMILESCc1nc(CCN)cc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C16H27N5/c1-13-18-14(4-7-17)12-16(19-13)21-10-5-15(6-11-21)20-8-2-3-9-20/h12,15H,2-11,17H2,1H3
InChIKeySQGJMJJJEJKRFV-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.35
Rot. Bonds4

About 2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine

2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine (PubChem CID 56705904) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine
PubChem CID56705904
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine
SMILESCc1nc(CCN)cc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C16H27N5/c1-13-18-14(4-7-17)12-16(19-13)21-10-5-15(6-11-21)20-8-2-3-9-20/h12,15H,2-11,17H2,1H3
InChIKeySQGJMJJJEJKRFV-UHFFFAOYSA-N
XLogP1.35
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine (CID 56705904) is 2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine is Cc1nc(CCN)cc(N2CCC(N3CCCC3)CC2)n1.
What is the InChIKey of 2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine?
The InChIKey is SQGJMJJJEJKRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-13-18-14(4-7-17)12-16(19-13)21-10-5-15(6-11-21)20-8-2-3-9-20/h12,15H,2-11,17H2,1H3.
What are the key properties of 2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine?
2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine has a molecular weight of 289.43 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 56705904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).