(3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol

C13H19N3O2 — CID 72866606

IUPAC(3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol
SMILESCOc1cc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncn1
InChIInChI=1S/C13H19N3O2/c1-9-6-16(7-13(9,17)10-3-4-10)11-5-12(18-2)15-8-14-11/h5,8-10,17H,3-4,6-7H2,1-2H3/t9-,13+/m1/s1
InChIKeyJJSIFUYWFPBOQY-RNCFNFMXSA-N
MW249.31 g/mol
LogP1.08
Rot. Bonds3

About (3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol

(3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol (PubChem CID 72866606) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol
PubChem CID72866606
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol
SMILESCOc1cc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncn1
InChIInChI=1S/C13H19N3O2/c1-9-6-16(7-13(9,17)10-3-4-10)11-5-12(18-2)15-8-14-11/h5,8-10,17H,3-4,6-7H2,1-2H3/t9-,13+/m1/s1
InChIKeyJJSIFUYWFPBOQY-RNCFNFMXSA-N
XLogP1.08
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol (CID 72866606) is (3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol is COc1cc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncn1.
What is the InChIKey of (3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol?
The InChIKey is JJSIFUYWFPBOQY-RNCFNFMXSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-6-16(7-13(9,17)10-3-4-10)11-5-12(18-2)15-8-14-11/h5,8-10,17H,3-4,6-7H2,1-2H3/t9-,13+/m1/s1.
What are the key properties of (3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol?
(3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol has a molecular weight of 249.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 72866606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).