2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C11H15N3 — CID 84732954

IUPAC2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1nc(C2CCNC2)nc2c1CCC2
InChIInChI=1S/C11H15N3/c1-2-8-7-13-11(14-10(8)3-1)9-4-5-12-6-9/h7,9,12H,1-6H2
InChIKeyUBQGNIOGUPQNGX-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.04
Rot. Bonds1

About 2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 84732954) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID84732954
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1nc(C2CCNC2)nc2c1CCC2
InChIInChI=1S/C11H15N3/c1-2-8-7-13-11(14-10(8)3-1)9-4-5-12-6-9/h7,9,12H,1-6H2
InChIKeyUBQGNIOGUPQNGX-UHFFFAOYSA-N
XLogP1.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 84732954) is 2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1nc(C2CCNC2)nc2c1CCC2.
What is the InChIKey of 2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is UBQGNIOGUPQNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-8-7-13-11(14-10(8)3-1)9-4-5-12-6-9/h7,9,12H,1-6H2.
What are the key properties of 2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 189.26 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 84732954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).