4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine

C12H19N5O — CID 171340440

IUPAC4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESc1cc(N2CCOCC2)nc(NC2CCNC2)n1
InChIInChI=1S/C12H19N5O/c1-3-13-9-10(1)15-12-14-4-2-11(16-12)17-5-7-18-8-6-17/h2,4,10,13H,1,3,5-9H2,(H,14,15,16)
InChIKeyDCIUHYUFMWKTJY-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.09
Rot. Bonds3

About 4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine

4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine (PubChem CID 171340440) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
PubChem CID171340440
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESc1cc(N2CCOCC2)nc(NC2CCNC2)n1
InChIInChI=1S/C12H19N5O/c1-3-13-9-10(1)15-12-14-4-2-11(16-12)17-5-7-18-8-6-17/h2,4,10,13H,1,3,5-9H2,(H,14,15,16)
InChIKeyDCIUHYUFMWKTJY-UHFFFAOYSA-N
XLogP0.09
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine (CID 171340440) is 4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine is c1cc(N2CCOCC2)nc(NC2CCNC2)n1.
What is the InChIKey of 4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine?
The InChIKey is DCIUHYUFMWKTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-13-9-10(1)15-12-14-4-2-11(16-12)17-5-7-18-8-6-17/h2,4,10,13H,1,3,5-9H2,(H,14,15,16).
What are the key properties of 4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine?
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine has a molecular weight of 249.32 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 171340440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).