5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine

C9H13N3O — CID 95031425

IUPAC5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine
SMILESCc1cnc(O[C@@H]2CCNC2)nc1
InChIInChI=1S/C9H13N3O/c1-7-4-11-9(12-5-7)13-8-2-3-10-6-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyXCUAPUBHCOQCCV-MRVPVSSYSA-N
MW179.22 g/mol
LogP0.53
Rot. Bonds2

About 5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine

5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine (PubChem CID 95031425) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine
PubChem CID95031425
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine
SMILESCc1cnc(O[C@@H]2CCNC2)nc1
InChIInChI=1S/C9H13N3O/c1-7-4-11-9(12-5-7)13-8-2-3-10-6-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyXCUAPUBHCOQCCV-MRVPVSSYSA-N
XLogP0.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine?
The IUPAC name of 5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine (CID 95031425) is 5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine is Cc1cnc(O[C@@H]2CCNC2)nc1.
What is the InChIKey of 5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine?
The InChIKey is XCUAPUBHCOQCCV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-4-11-9(12-5-7)13-8-2-3-10-6-8/h4-5,8,10H,2-3,6H2,1H3/t8-/m1/s1.
What are the key properties of 5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine?
5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine has a molecular weight of 179.22 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine is sourced from PubChem (CID 95031425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).