2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine

C15H17Cl2N5O — CID 90282299

IUPAC2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine
SMILESCC(Oc1nc2nc(Cl)nc(N3CCCC3)c2nc1Cl)C1CC1
InChIInChI=1S/C15H17Cl2N5O/c1-8(9-4-5-9)23-14-11(16)18-10-12(19-14)20-15(17)21-13(10)22-6-2-3-7-22/h8-9H,2-7H2,1H3
InChIKeyRARSZECKMQOFHP-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.50
Rot. Bonds4

About 2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine

2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine (PubChem CID 90282299) has the molecular formula C15H17Cl2N5O and a molecular weight of 354.24 g/mol. Its IUPAC name is 2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine.

Molecular Properties

Compound Name2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine
PubChem CID90282299
Molecular FormulaC15H17Cl2N5O
Molecular Weight354.24 g/mol
Exact Mass353.08
IUPAC Name2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine
SMILESCC(Oc1nc2nc(Cl)nc(N3CCCC3)c2nc1Cl)C1CC1
InChIInChI=1S/C15H17Cl2N5O/c1-8(9-4-5-9)23-14-11(16)18-10-12(19-14)20-15(17)21-13(10)22-6-2-3-7-22/h8-9H,2-7H2,1H3
InChIKeyRARSZECKMQOFHP-UHFFFAOYSA-N
XLogP3.50
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine?
The IUPAC name of 2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine (CID 90282299) is 2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine.
What is the SMILES notation for 2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine?
The canonical SMILES for 2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine is CC(Oc1nc2nc(Cl)nc(N3CCCC3)c2nc1Cl)C1CC1.
What is the InChIKey of 2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine?
The InChIKey is RARSZECKMQOFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O/c1-8(9-4-5-9)23-14-11(16)18-10-12(19-14)20-15(17)21-13(10)22-6-2-3-7-22/h8-9H,2-7H2,1H3.
What are the key properties of 2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine?
2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine has a molecular weight of 354.24 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-7-(1-cyclopropylethoxy)-4-pyrrolidin-1-ylpteridine is sourced from PubChem (CID 90282299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).