4-[(3R)-pyrrolidin-3-yl]pyrimidine

C8H11N3 — CID 129369776

IUPAC4-[(3R)-pyrrolidin-3-yl]pyrimidine
SMILESc1cc([C@@H]2CCNC2)ncn1
InChIInChI=1S/C8H11N3/c1-3-9-5-7(1)8-2-4-10-6-11-8/h2,4,6-7,9H,1,3,5H2/t7-/m1/s1
InChIKeyXRQBVGZNIDPBSF-SSDOTTSWSA-N
MW149.20 g/mol
LogP0.55
Rot. Bonds1

About 4-[(3R)-pyrrolidin-3-yl]pyrimidine

4-[(3R)-pyrrolidin-3-yl]pyrimidine (PubChem CID 129369776) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4-[(3R)-pyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[(3R)-pyrrolidin-3-yl]pyrimidine
PubChem CID129369776
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name4-[(3R)-pyrrolidin-3-yl]pyrimidine
SMILESc1cc([C@@H]2CCNC2)ncn1
InChIInChI=1S/C8H11N3/c1-3-9-5-7(1)8-2-4-10-6-11-8/h2,4,6-7,9H,1,3,5H2/t7-/m1/s1
InChIKeyXRQBVGZNIDPBSF-SSDOTTSWSA-N
XLogP0.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-pyrrolidin-3-yl]pyrimidine?
The IUPAC name of 4-[(3R)-pyrrolidin-3-yl]pyrimidine (CID 129369776) is 4-[(3R)-pyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[(3R)-pyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 4-[(3R)-pyrrolidin-3-yl]pyrimidine is c1cc([C@@H]2CCNC2)ncn1.
What is the InChIKey of 4-[(3R)-pyrrolidin-3-yl]pyrimidine?
The InChIKey is XRQBVGZNIDPBSF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-9-5-7(1)8-2-4-10-6-11-8/h2,4,6-7,9H,1,3,5H2/t7-/m1/s1.
What are the key properties of 4-[(3R)-pyrrolidin-3-yl]pyrimidine?
4-[(3R)-pyrrolidin-3-yl]pyrimidine has a molecular weight of 149.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-pyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 129369776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).