(3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol

C16H23N3O — CID 72902464

IUPAC(3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C16H23N3O/c1-11-8-19(9-16(11,20)13-3-2-4-13)15-7-14(12-5-6-12)17-10-18-15/h7,10-13,20H,2-6,8-9H2,1H3/t11-,16+/m1/s1
InChIKeyGFKNUOCHPUUCAC-BZNIZROVSA-N
MW273.38 g/mol
LogP2.34
Rot. Bonds3

About (3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol

(3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol (PubChem CID 72902464) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol
PubChem CID72902464
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C16H23N3O/c1-11-8-19(9-16(11,20)13-3-2-4-13)15-7-14(12-5-6-12)17-10-18-15/h7,10-13,20H,2-6,8-9H2,1H3/t11-,16+/m1/s1
InChIKeyGFKNUOCHPUUCAC-BZNIZROVSA-N
XLogP2.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol (CID 72902464) is (3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol is C[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@@]1(O)C1CCC1.
What is the InChIKey of (3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol?
The InChIKey is GFKNUOCHPUUCAC-BZNIZROVSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-8-19(9-16(11,20)13-3-2-4-13)15-7-14(12-5-6-12)17-10-18-15/h7,10-13,20H,2-6,8-9H2,1H3/t11-,16+/m1/s1.
What are the key properties of (3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol?
(3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol has a molecular weight of 273.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclobutyl-1-(6-cyclopropylpyrimidin-4-yl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 72902464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).