4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine

C12H19N5O — CID 19137246

IUPAC4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESNc1c(N2CCCC2)ncnc1N1CCOCC1
InChIInChI=1S/C12H19N5O/c13-10-11(16-3-1-2-4-16)14-9-15-12(10)17-5-7-18-8-6-17/h9H,1-8,13H2
InChIKeyNYDMNYMMEFNSAR-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.50
Rot. Bonds2

About 4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine

4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine (PubChem CID 19137246) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine
PubChem CID19137246
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESNc1c(N2CCCC2)ncnc1N1CCOCC1
InChIInChI=1S/C12H19N5O/c13-10-11(16-3-1-2-4-16)14-9-15-12(10)17-5-7-18-8-6-17/h9H,1-8,13H2
InChIKeyNYDMNYMMEFNSAR-UHFFFAOYSA-N
XLogP0.50
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine?
The IUPAC name of 4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine (CID 19137246) is 4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine is Nc1c(N2CCCC2)ncnc1N1CCOCC1.
What is the InChIKey of 4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine?
The InChIKey is NYDMNYMMEFNSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-10-11(16-3-1-2-4-16)14-9-15-12(10)17-5-7-18-8-6-17/h9H,1-8,13H2.
What are the key properties of 4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine?
4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine has a molecular weight of 249.32 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-5-amine is sourced from PubChem (CID 19137246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).