[(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol

C13H22N4O2 — CID 164631579

IUPAC[(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESCc1cnc(N2C[C@H](CO)[C@@H](CO)C2)nc1N(C)C
InChIInChI=1S/C13H22N4O2/c1-9-4-14-13(15-12(9)16(2)3)17-5-10(7-18)11(6-17)8-19/h4,10-11,18-19H,5-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyHEPRXXUGPRLTSV-GHMZBOCLSA-N
MW266.34 g/mol
LogP-0.11
Rot. Bonds4

About [(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol (PubChem CID 164631579) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
PubChem CID164631579
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESCc1cnc(N2C[C@H](CO)[C@@H](CO)C2)nc1N(C)C
InChIInChI=1S/C13H22N4O2/c1-9-4-14-13(15-12(9)16(2)3)17-5-10(7-18)11(6-17)8-19/h4,10-11,18-19H,5-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyHEPRXXUGPRLTSV-GHMZBOCLSA-N
XLogP-0.11
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol (CID 164631579) is [(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol is Cc1cnc(N2C[C@H](CO)[C@@H](CO)C2)nc1N(C)C.
What is the InChIKey of [(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The InChIKey is HEPRXXUGPRLTSV-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-4-14-13(15-12(9)16(2)3)17-5-10(7-18)11(6-17)8-19/h4,10-11,18-19H,5-8H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of [(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 164631579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).