[(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

C16H28N4O — CID 70780228

IUPAC[(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCCc1c(C)nc(C)nc1N1C[C@@H](CN(C)C)[C@@H](CO)C1
InChIInChI=1S/C16H28N4O/c1-6-15-11(2)17-12(3)18-16(15)20-8-13(7-19(4)5)14(9-20)10-21/h13-14,21H,6-10H2,1-5H3/t13-,14-/m1/s1
InChIKeyBMXWLVHCBADEQL-ZIAGYGMSSA-N
MW292.43 g/mol
LogP1.26
Rot. Bonds5

About [(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

[(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 70780228) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID70780228
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCCc1c(C)nc(C)nc1N1C[C@@H](CN(C)C)[C@@H](CO)C1
InChIInChI=1S/C16H28N4O/c1-6-15-11(2)17-12(3)18-16(15)20-8-13(7-19(4)5)14(9-20)10-21/h13-14,21H,6-10H2,1-5H3/t13-,14-/m1/s1
InChIKeyBMXWLVHCBADEQL-ZIAGYGMSSA-N
XLogP1.26
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (CID 70780228) is [(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is CCc1c(C)nc(C)nc1N1C[C@@H](CN(C)C)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is BMXWLVHCBADEQL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-15-11(2)17-12(3)18-16(15)20-8-13(7-19(4)5)14(9-20)10-21/h13-14,21H,6-10H2,1-5H3/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 292.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[(dimethylamino)methyl]-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70780228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).