[(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

C15H24N4O3 — CID 72939610

IUPAC[(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCOc1cnc(N2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)nc1
InChIInChI=1S/C15H24N4O3/c1-21-14-6-16-15(17-7-14)19-9-12(13(10-19)11-20)8-18-2-4-22-5-3-18/h6-7,12-13,20H,2-5,8-11H2,1H3/t12-,13-/m1/s1
InChIKeyYAHJUPADOCNONZ-CHWSQXEVSA-N
MW308.38 g/mol
LogP-0.14
Rot. Bonds5

About [(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 72939610) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is [(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID72939610
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name[(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCOc1cnc(N2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)nc1
InChIInChI=1S/C15H24N4O3/c1-21-14-6-16-15(17-7-14)19-9-12(13(10-19)11-20)8-18-2-4-22-5-3-18/h6-7,12-13,20H,2-5,8-11H2,1H3/t12-,13-/m1/s1
InChIKeyYAHJUPADOCNONZ-CHWSQXEVSA-N
XLogP-0.14
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol (CID 72939610) is [(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol is COc1cnc(N2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)nc1.
What is the InChIKey of [(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is YAHJUPADOCNONZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-21-14-6-16-15(17-7-14)19-9-12(13(10-19)11-20)8-18-2-4-22-5-3-18/h6-7,12-13,20H,2-5,8-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of [(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 308.38 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(5-methoxypyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72939610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).