6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine

C10H16N4O — CID 66319236

IUPAC6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
SMILESCCOc1cc(NC2CCNC2)ncn1
InChIInChI=1S/C10H16N4O/c1-2-15-10-5-9(12-7-13-10)14-8-3-4-11-6-8/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyFZCNFEMEMKQTPO-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.65
Rot. Bonds4

About 6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine

6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine (PubChem CID 66319236) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
PubChem CID66319236
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
SMILESCCOc1cc(NC2CCNC2)ncn1
InChIInChI=1S/C10H16N4O/c1-2-15-10-5-9(12-7-13-10)14-8-3-4-11-6-8/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyFZCNFEMEMKQTPO-UHFFFAOYSA-N
XLogP0.65
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine (CID 66319236) is 6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine is CCOc1cc(NC2CCNC2)ncn1.
What is the InChIKey of 6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine?
The InChIKey is FZCNFEMEMKQTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-15-10-5-9(12-7-13-10)14-8-3-4-11-6-8/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,14).
What are the key properties of 6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine?
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine has a molecular weight of 208.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66319236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).