[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

C17H30N4O — CID 70750910

IUPAC[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCCCc1cnc(C)nc1N1C[C@@H](CN(C)CC)[C@@H](CO)C1
InChIInChI=1S/C17H30N4O/c1-5-7-14-8-18-13(3)19-17(14)21-10-15(9-20(4)6-2)16(11-21)12-22/h8,15-16,22H,5-7,9-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyOYRREPPSOMSNJQ-HZPDHXFCSA-N
MW306.45 g/mol
LogP1.73
Rot. Bonds7

About [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 70750910) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID70750910
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCCCc1cnc(C)nc1N1C[C@@H](CN(C)CC)[C@@H](CO)C1
InChIInChI=1S/C17H30N4O/c1-5-7-14-8-18-13(3)19-17(14)21-10-15(9-20(4)6-2)16(11-21)12-22/h8,15-16,22H,5-7,9-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyOYRREPPSOMSNJQ-HZPDHXFCSA-N
XLogP1.73
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (CID 70750910) is [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is CCCc1cnc(C)nc1N1C[C@@H](CN(C)CC)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is OYRREPPSOMSNJQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H30N4O/c1-5-7-14-8-18-13(3)19-17(14)21-10-15(9-20(4)6-2)16(11-21)12-22/h8,15-16,22H,5-7,9-12H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 306.45 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70750910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).