[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

C16H23N3O2 — CID 72885951

IUPAC[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1C[C@@H](C)[C@](O)(C2CC2)C1
InChIInChI=1S/C16H23N3O2/c1-3-4-14-13(7-17-10-18-14)15(20)19-8-11(2)16(21,9-19)12-5-6-12/h7,10-12,21H,3-6,8-9H2,1-2H3/t11-,16+/m1/s1
InChIKeyGTMNQUVQSAGOQE-BZNIZROVSA-N
MW289.38 g/mol
LogP1.66
Rot. Bonds4

About [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (PubChem CID 72885951) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
PubChem CID72885951
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1C[C@@H](C)[C@](O)(C2CC2)C1
InChIInChI=1S/C16H23N3O2/c1-3-4-14-13(7-17-10-18-14)15(20)19-8-11(2)16(21,9-19)12-5-6-12/h7,10-12,21H,3-6,8-9H2,1-2H3/t11-,16+/m1/s1
InChIKeyGTMNQUVQSAGOQE-BZNIZROVSA-N
XLogP1.66
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (CID 72885951) is [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is CCCc1ncncc1C(=O)N1C[C@@H](C)[C@](O)(C2CC2)C1.
What is the InChIKey of [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The InChIKey is GTMNQUVQSAGOQE-BZNIZROVSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-4-14-13(7-17-10-18-14)15(20)19-8-11(2)16(21,9-19)12-5-6-12/h7,10-12,21H,3-6,8-9H2,1-2H3/t11-,16+/m1/s1.
What are the key properties of [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72885951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).