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

C17H28N4O — CID 72859453

IUPAC[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol
SMILESCN(C)C[C@@H]1CN(c2nccc(C3CCCC3)n2)C[C@@H]1CO
InChIInChI=1S/C17H28N4O/c1-20(2)9-14-10-21(11-15(14)12-22)17-18-8-7-16(19-17)13-5-3-4-6-13/h7-8,13-15,22H,3-6,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyRIHBRYARZQDNBX-HUUCEWRRSA-N
MW304.44 g/mol
LogP1.74
Rot. Bonds5

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

[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol (PubChem CID 72859453) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol
PubChem CID72859453
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol
SMILESCN(C)C[C@@H]1CN(c2nccc(C3CCCC3)n2)C[C@@H]1CO
InChIInChI=1S/C17H28N4O/c1-20(2)9-14-10-21(11-15(14)12-22)17-18-8-7-16(19-17)13-5-3-4-6-13/h7-8,13-15,22H,3-6,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyRIHBRYARZQDNBX-HUUCEWRRSA-N
XLogP1.74
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 ≤ 51.74
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-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol (CID 72859453) is [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol is CN(C)C[C@@H]1CN(c2nccc(C3CCCC3)n2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is RIHBRYARZQDNBX-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H28N4O/c1-20(2)9-14-10-21(11-15(14)12-22)17-18-8-7-16(19-17)13-5-3-4-6-13/h7-8,13-15,22H,3-6,9-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of [(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 304.44 g/mol, XLogP of 1.74, 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-cyclopentylpyrimidin-2-yl)-4-[(dimethylamino)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72859453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).