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

C15H26N4O3 — CID 72865166

IUPAC[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol
SMILESCOCCN(C)C[C@@H]1CN(c2ncc(OC)cn2)C[C@@H]1CO
InChIInChI=1S/C15H26N4O3/c1-18(4-5-21-2)8-12-9-19(10-13(12)11-20)15-16-6-14(22-3)7-17-15/h6-7,12-13,20H,4-5,8-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyUCBCFXDLAQPDJS-CHWSQXEVSA-N
MW310.40 g/mol
LogP0.11
Rot. Bonds8

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

[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 72865166) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol
PubChem CID72865166
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol
SMILESCOCCN(C)C[C@@H]1CN(c2ncc(OC)cn2)C[C@@H]1CO
InChIInChI=1S/C15H26N4O3/c1-18(4-5-21-2)8-12-9-19(10-13(12)11-20)15-16-6-14(22-3)7-17-15/h6-7,12-13,20H,4-5,8-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyUCBCFXDLAQPDJS-CHWSQXEVSA-N
XLogP0.11
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

5-(1-Methyl-pyrrolidin-3-yloxy)-pyrimidine
CID 44325618
US10287270, Example 6
CID 134254337
[(3S*,5R*)-1-(5-methoxy-2-pyrimidinyl)-5-(4-morpholinylmethyl)-3-piperidinyl]methanol
CID 72852730
[(3R*,5R*)-1-(5-methoxy-2-pyrimidinyl)-5-(4-morpholinylmethyl)-3-piperidinyl]methanol
CID 72876925
[(3R*,4R*)-1-(5-methoxy-2-pyrimidinyl)-4-(4-morpholinylmethyl)-3-pyrrolidinyl]methanol
CID 72939610
1-{[2-(Dimethylamino)pyrimidin-5-YL]methyl}-3-(hydroxymethyl)pyrrolidin-3-OL
CID 77089256
1-[(2S)-4-hydroxy-2-methylbutyl]-3-(5-methoxypyrimidin-2-yl)urea
CID 124855920
[(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 164631579
1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]pyrrolidin-3-ol
CID 134254338
(3S)-1-[5-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]pyrrolidin-3-ol
CID 148901432
[(3R*,4R*)-1-(5-fluoro-2-pyrimidinyl)-4-(4-morpholinylmethyl)-3-pyrrolidinyl]methanol
CID 72870366
[(3S,4S)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133139041

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol (CID 72865166) is [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol is COCCN(C)C[C@@H]1CN(c2ncc(OC)cn2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is UCBCFXDLAQPDJS-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-18(4-5-21-2)8-12-9-19(10-13(12)11-20)15-16-6-14(22-3)7-17-15/h6-7,12-13,20H,4-5,8-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 310.40 g/mol, XLogP of 0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[[2-methoxyethyl(methyl)amino]methyl]-1-(5-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72865166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).