(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol

C12H21N3O2 — CID 99606776

IUPAC(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol
SMILESCCOc1cc(NC[C@H](O)C(C)(C)C)ncn1
InChIInChI=1S/C12H21N3O2/c1-5-17-11-6-10(14-8-15-11)13-7-9(16)12(2,3)4/h6,8-9,16H,5,7H2,1-4H3,(H,13,14,15)/t9-/m0/s1
InChIKeyCYVNUWPNCNGZNN-VIFPVBQESA-N
MW239.32 g/mol
LogP1.69
Rot. Bonds5

About (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol

(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol (PubChem CID 99606776) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol
PubChem CID99606776
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol
SMILESCCOc1cc(NC[C@H](O)C(C)(C)C)ncn1
InChIInChI=1S/C12H21N3O2/c1-5-17-11-6-10(14-8-15-11)13-7-9(16)12(2,3)4/h6,8-9,16H,5,7H2,1-4H3,(H,13,14,15)/t9-/m0/s1
InChIKeyCYVNUWPNCNGZNN-VIFPVBQESA-N
XLogP1.69
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol?
The IUPAC name of (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol (CID 99606776) is (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol is CCOc1cc(NC[C@H](O)C(C)(C)C)ncn1.
What is the InChIKey of (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol?
The InChIKey is CYVNUWPNCNGZNN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-17-11-6-10(14-8-15-11)13-7-9(16)12(2,3)4/h6,8-9,16H,5,7H2,1-4H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol?
(2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-ethoxypyrimidin-4-yl)amino]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 99606776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).