[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol

C17H28N4O — CID 70728361

IUPAC[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol
SMILESCc1cc(C2CCC2)nc(N2C[C@@H](CN(C)C)[C@@H](CO)C2)n1
InChIInChI=1S/C17H28N4O/c1-12-7-16(13-5-4-6-13)19-17(18-12)21-9-14(8-20(2)3)15(10-21)11-22/h7,13-15,22H,4-6,8-11H2,1-3H3/t14-,15-/m1/s1
InChIKeyABLHFGZAFRYONV-HUUCEWRRSA-N
MW304.44 g/mol
LogP1.66
Rot. Bonds5

About [(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol

[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol (PubChem CID 70728361) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is [(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol
PubChem CID70728361
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol
SMILESCc1cc(C2CCC2)nc(N2C[C@@H](CN(C)C)[C@@H](CO)C2)n1
InChIInChI=1S/C17H28N4O/c1-12-7-16(13-5-4-6-13)19-17(18-12)21-9-14(8-20(2)3)15(10-21)11-22/h7,13-15,22H,4-6,8-11H2,1-3H3/t14-,15-/m1/s1
InChIKeyABLHFGZAFRYONV-HUUCEWRRSA-N
XLogP1.66
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol (CID 70728361) is [(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol is Cc1cc(C2CCC2)nc(N2C[C@@H](CN(C)C)[C@@H](CO)C2)n1.
What is the InChIKey of [(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is ABLHFGZAFRYONV-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12-7-16(13-5-4-6-13)19-17(18-12)21-9-14(8-20(2)3)15(10-21)11-22/h7,13-15,22H,4-6,8-11H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of [(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 304.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70728361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).