(3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol

C15H23N3O — CID 164634398

IUPAC(3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol
SMILESCCc1nc(N2C[C@H](C)[C@@](O)(C3CC3)C2)ncc1C
InChIInChI=1S/C15H23N3O/c1-4-13-10(2)7-16-14(17-13)18-8-11(3)15(19,9-18)12-5-6-12/h7,11-12,19H,4-6,8-9H2,1-3H3/t11-,15+/m0/s1
InChIKeyAHJGGXSEPXCPLX-XHDPSFHLSA-N
MW261.37 g/mol
LogP1.94
Rot. Bonds3

About (3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol

(3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol (PubChem CID 164634398) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol
PubChem CID164634398
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol
SMILESCCc1nc(N2C[C@H](C)[C@@](O)(C3CC3)C2)ncc1C
InChIInChI=1S/C15H23N3O/c1-4-13-10(2)7-16-14(17-13)18-8-11(3)15(19,9-18)12-5-6-12/h7,11-12,19H,4-6,8-9H2,1-3H3/t11-,15+/m0/s1
InChIKeyAHJGGXSEPXCPLX-XHDPSFHLSA-N
XLogP1.94
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol (CID 164634398) is (3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol is CCc1nc(N2C[C@H](C)[C@@](O)(C3CC3)C2)ncc1C.
What is the InChIKey of (3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol?
The InChIKey is AHJGGXSEPXCPLX-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-13-10(2)7-16-14(17-13)18-8-11(3)15(19,9-18)12-5-6-12/h7,11-12,19H,4-6,8-9H2,1-3H3/t11-,15+/m0/s1.
What are the key properties of (3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol?
(3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol has a molecular weight of 261.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-cyclopropyl-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 164634398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).