5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine

C9H14N4O — CID 84665508

IUPAC5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1cnc(N2CCCC2)nc1N
InChIInChI=1S/C9H14N4O/c1-14-7-6-11-9(12-8(7)10)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyCSTWFPYJRVZOFI-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.67
Rot. Bonds2

About 5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine

5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 84665508) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID84665508
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCOc1cnc(N2CCCC2)nc1N
InChIInChI=1S/C9H14N4O/c1-14-7-6-11-9(12-8(7)10)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyCSTWFPYJRVZOFI-UHFFFAOYSA-N
XLogP0.67
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 84665508) is 5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine is COc1cnc(N2CCCC2)nc1N.
What is the InChIKey of 5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is CSTWFPYJRVZOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-14-7-6-11-9(12-8(7)10)13-4-2-3-5-13/h6H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine?
5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 194.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 84665508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).