ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol

C12H19N3O3 — CID 155321926

IUPACethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol
SMILESCCOC(O)c1cnc(N2CC[C@@H](CO)C2)nc1
InChIInChI=1S/C12H19N3O3/c1-2-18-11(17)10-5-13-12(14-6-10)15-4-3-9(7-15)8-16/h5-6,9,11,16-17H,2-4,7-8H2,1H3/t9-,11?/m1/s1
InChIKeyHPURRTLHBVECPS-BFHBGLAWSA-N
MW253.30 g/mol
LogP0.32
Rot. Bonds5

About ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol

ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol (PubChem CID 155321926) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Nameethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol
PubChem CID155321926
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol
SMILESCCOC(O)c1cnc(N2CC[C@@H](CO)C2)nc1
InChIInChI=1S/C12H19N3O3/c1-2-18-11(17)10-5-13-12(14-6-10)15-4-3-9(7-15)8-16/h5-6,9,11,16-17H,2-4,7-8H2,1H3/t9-,11?/m1/s1
InChIKeyHPURRTLHBVECPS-BFHBGLAWSA-N
XLogP0.32
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol 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

[1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 116976618
2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
CID 104844112
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
[1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 116976091
[1-(5-cyclobutylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 116976106
[1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
CID 116976620
N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
CID 116976203
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407883
ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 170578273
(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627788

Frequently Asked Questions

What is the IUPAC name of ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol?
The IUPAC name of ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol (CID 155321926) is ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol.
What is the SMILES notation for ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol?
The canonical SMILES for ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol is CCOC(O)c1cnc(N2CC[C@@H](CO)C2)nc1.
What is the InChIKey of ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol?
The InChIKey is HPURRTLHBVECPS-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-18-11(17)10-5-13-12(14-6-10)15-4-3-9(7-15)8-16/h5-6,9,11,16-17H,2-4,7-8H2,1H3/t9-,11?/m1/s1.
What are the key properties of ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol?
ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol has a molecular weight of 253.30 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 155321926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).