2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol

C16H21N3OS — CID 166433858

IUPAC2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC1(C)CN(c2cc(-c3cccs3)ncn2)C(C)(C)C1O
InChIInChI=1S/C16H21N3OS/c1-15(2)9-19(16(3,4)14(15)20)13-8-11(17-10-18-13)12-6-5-7-21-12/h5-8,10,14,20H,9H2,1-4H3
InChIKeyYNVWQFYLZHALSG-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.19
Rot. Bonds2

About 2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol

2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 166433858) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID166433858
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC1(C)CN(c2cc(-c3cccs3)ncn2)C(C)(C)C1O
InChIInChI=1S/C16H21N3OS/c1-15(2)9-19(16(3,4)14(15)20)13-8-11(17-10-18-13)12-6-5-7-21-12/h5-8,10,14,20H,9H2,1-4H3
InChIKeyYNVWQFYLZHALSG-UHFFFAOYSA-N
XLogP3.19
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 166433858) is 2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol is CC1(C)CN(c2cc(-c3cccs3)ncn2)C(C)(C)C1O.
What is the InChIKey of 2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is YNVWQFYLZHALSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-15(2)9-19(16(3,4)14(15)20)13-8-11(17-10-18-13)12-6-5-7-21-12/h5-8,10,14,20H,9H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 303.43 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 166433858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).