(3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol

C10H15N3OS — CID 126847733

IUPAC(3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol
SMILESCc1cc(C)nc(S[C@@H]2CNC[C@H]2O)n1
InChIInChI=1S/C10H15N3OS/c1-6-3-7(2)13-10(12-6)15-9-5-11-4-8(9)14/h3,8-9,11,14H,4-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyMPXFNUZVRUJDMS-RKDXNWHRSA-N
MW225.32 g/mol
LogP0.52
Rot. Bonds2

About (3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol

(3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol (PubChem CID 126847733) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol
PubChem CID126847733
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol
SMILESCc1cc(C)nc(S[C@@H]2CNC[C@H]2O)n1
InChIInChI=1S/C10H15N3OS/c1-6-3-7(2)13-10(12-6)15-9-5-11-4-8(9)14/h3,8-9,11,14H,4-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyMPXFNUZVRUJDMS-RKDXNWHRSA-N
XLogP0.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol (CID 126847733) is (3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol is Cc1cc(C)nc(S[C@@H]2CNC[C@H]2O)n1.
What is the InChIKey of (3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol?
The InChIKey is MPXFNUZVRUJDMS-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6-3-7(2)13-10(12-6)15-9-5-11-4-8(9)14/h3,8-9,11,14H,4-5H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol?
(3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol has a molecular weight of 225.32 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidin-3-ol is sourced from PubChem (CID 126847733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).