4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine

C13H21N3O — CID 86802449

IUPAC4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CC[C@@H](OC(C)(C)C)C2)n1
InChIInChI=1S/C13H21N3O/c1-10-5-7-14-12(15-10)16-8-6-11(9-16)17-13(2,3)4/h5,7,11H,6,8-9H2,1-4H3/t11-/m1/s1
InChIKeyPPQGEUUQHINQSA-LLVKDONJSA-N
MW235.33 g/mol
LogP2.18
Rot. Bonds2

About 4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine

4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine (PubChem CID 86802449) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine
PubChem CID86802449
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CC[C@@H](OC(C)(C)C)C2)n1
InChIInChI=1S/C13H21N3O/c1-10-5-7-14-12(15-10)16-8-6-11(9-16)17-13(2,3)4/h5,7,11H,6,8-9H2,1-4H3/t11-/m1/s1
InChIKeyPPQGEUUQHINQSA-LLVKDONJSA-N
XLogP2.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine (CID 86802449) is 4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine is Cc1ccnc(N2CC[C@@H](OC(C)(C)C)C2)n1.
What is the InChIKey of 4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine?
The InChIKey is PPQGEUUQHINQSA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-5-7-14-12(15-10)16-8-6-11(9-16)17-13(2,3)4/h5,7,11H,6,8-9H2,1-4H3/t11-/m1/s1.
What are the key properties of 4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine?
4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine has a molecular weight of 235.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 86802449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).