(3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol

C18H23N3O2 — CID 133113651

IUPAC(3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol
SMILESCCN(Cc1cnc(-c2cccc(C)c2)nc1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C18H23N3O2/c1-3-21(16-11-23-12-17(16)22)10-14-8-19-18(20-9-14)15-6-4-5-13(2)7-15/h4-9,16-17,22H,3,10-12H2,1-2H3/t16-,17-/m1/s1
InChIKeyXLWNVAVWAKWIJX-IAGOWNOFSA-N
MW313.40 g/mol
LogP2.03
Rot. Bonds5

About (3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol

(3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol (PubChem CID 133113651) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol
PubChem CID133113651
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol
SMILESCCN(Cc1cnc(-c2cccc(C)c2)nc1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C18H23N3O2/c1-3-21(16-11-23-12-17(16)22)10-14-8-19-18(20-9-14)15-6-4-5-13(2)7-15/h4-9,16-17,22H,3,10-12H2,1-2H3/t16-,17-/m1/s1
InChIKeyXLWNVAVWAKWIJX-IAGOWNOFSA-N
XLogP2.03
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 156608790
4-(dibenzylamino)oxolan-3-ol
CID 130502990
1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine
CID 62757551
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408
(4R)-2-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 96572853
4-[2-aminoethyl(benzyl)amino]oxolan-3-ol
CID 130503382
(3S,4R)-4-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl-ethylamino]oxolan-3-ol
CID 133131035
3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
CID 119073766
(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]pyrrolidin-3-ol
CID 134712466
2-[6-(3-methylphenyl)-3-pyridinyl]ethanol
CID 117001661
(3R,4S)-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl-ethylamino]oxolan-3-ol
CID 91842278
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol (CID 133113651) is (3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol is CCN(Cc1cnc(-c2cccc(C)c2)nc1)[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol?
The InChIKey is XLWNVAVWAKWIJX-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-21(16-11-23-12-17(16)22)10-14-8-19-18(20-9-14)15-6-4-5-13(2)7-15/h4-9,16-17,22H,3,10-12H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol?
(3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol has a molecular weight of 313.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[ethyl-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]amino]oxolan-3-ol is sourced from PubChem (CID 133113651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).