5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

C20H29N5O2 — CID 135097503

IUPAC5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
SMILESCO[C@H]1CN(c2nc(N3CCCC3)nc(C)c2C)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C20H29N5O2/c1-13-9-17(27-23-13)10-16-11-25(12-18(16)26-4)19-14(2)15(3)21-20(22-19)24-7-5-6-8-24/h9,16,18H,5-8,10-12H2,1-4H3/t16-,18+/m1/s1
InChIKeyCFOSPDATOUWQKW-AEFFLSMTSA-N
MW371.49 g/mol
LogP2.68
Rot. Bonds5

About 5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 135097503) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID135097503
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
SMILESCO[C@H]1CN(c2nc(N3CCCC3)nc(C)c2C)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C20H29N5O2/c1-13-9-17(27-23-13)10-16-11-25(12-18(16)26-4)19-14(2)15(3)21-20(22-19)24-7-5-6-8-24/h9,16,18H,5-8,10-12H2,1-4H3/t16-,18+/m1/s1
InChIKeyCFOSPDATOUWQKW-AEFFLSMTSA-N
XLogP2.68
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole (CID 135097503) is 5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole is CO[C@H]1CN(c2nc(N3CCCC3)nc(C)c2C)C[C@H]1Cc1cc(C)no1.
What is the InChIKey of 5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is CFOSPDATOUWQKW-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-13-9-17(27-23-13)10-16-11-25(12-18(16)26-4)19-14(2)15(3)21-20(22-19)24-7-5-6-8-24/h9,16,18H,5-8,10-12H2,1-4H3/t16-,18+/m1/s1.
What are the key properties of 5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 371.49 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4R)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 135097503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).