2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol

C18H32N4O2 — CID 70759746

IUPAC2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol
SMILESCCc1c(C)nc(C)nc1N1C[C@@H](CN(CC)CCO)[C@@H](CO)C1
InChIInChI=1S/C18H32N4O2/c1-5-17-13(3)19-14(4)20-18(17)22-10-15(16(11-22)12-24)9-21(6-2)7-8-23/h15-16,23-24H,5-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyPHGVMFWGVBUPPU-HZPDHXFCSA-N
MW336.48 g/mol
LogP1.01
Rot. Bonds8

About 2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol

2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol (PubChem CID 70759746) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol
PubChem CID70759746
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol
SMILESCCc1c(C)nc(C)nc1N1C[C@@H](CN(CC)CCO)[C@@H](CO)C1
InChIInChI=1S/C18H32N4O2/c1-5-17-13(3)19-14(4)20-18(17)22-10-15(16(11-22)12-24)9-21(6-2)7-8-23/h15-16,23-24H,5-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyPHGVMFWGVBUPPU-HZPDHXFCSA-N
XLogP1.01
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol 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 2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol (CID 70759746) is 2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol is CCc1c(C)nc(C)nc1N1C[C@@H](CN(CC)CCO)[C@@H](CO)C1.
What is the InChIKey of 2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol?
The InChIKey is PHGVMFWGVBUPPU-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-5-17-13(3)19-14(4)20-18(17)22-10-15(16(11-22)12-24)9-21(6-2)7-8-23/h15-16,23-24H,5-12H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of 2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol?
2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol has a molecular weight of 336.48 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 70759746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).