7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine

C9H9N3 — CID 149286062

IUPAC7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine
SMILESc1ncc2cc3n(c2n1)CCC3
InChIInChI=1S/C9H9N3/c1-2-8-4-7-5-10-6-11-9(7)12(8)3-1/h4-6H,1-3H2
InChIKeyXTXMCLXKBMSAHT-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.38
Rot. Bonds

About 7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine

7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine (PubChem CID 149286062) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine.

Molecular Properties

Compound Name7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine
PubChem CID149286062
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine
SMILESc1ncc2cc3n(c2n1)CCC3
InChIInChI=1S/C9H9N3/c1-2-8-4-7-5-10-6-11-9(7)12(8)3-1/h4-6H,1-3H2
InChIKeyXTXMCLXKBMSAHT-UHFFFAOYSA-N
XLogP1.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine?
The IUPAC name of 7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine (CID 149286062) is 7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine.
What is the SMILES notation for 7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine?
The canonical SMILES for 7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine is c1ncc2cc3n(c2n1)CCC3.
What is the InChIKey of 7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine?
The InChIKey is XTXMCLXKBMSAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-8-4-7-5-10-6-11-9(7)12(8)3-1/h4-6H,1-3H2.
What are the key properties of 7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine?
7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine has a molecular weight of 159.19 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine is sourced from PubChem (CID 149286062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).