5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine

C13H21N3O — CID 117231618

IUPAC5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine
SMILESCC(C)(C)Oc1cnc(CC2CCCN2)nc1
InChIInChI=1S/C13H21N3O/c1-13(2,3)17-11-8-15-12(16-9-11)7-10-5-4-6-14-10/h8-10,14H,4-7H2,1-3H3
InChIKeyRAPIBVBHGYDQTJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.95
Rot. Bonds3

About 5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine

5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine (PubChem CID 117231618) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine
PubChem CID117231618
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine
SMILESCC(C)(C)Oc1cnc(CC2CCCN2)nc1
InChIInChI=1S/C13H21N3O/c1-13(2,3)17-11-8-15-12(16-9-11)7-10-5-4-6-14-10/h8-10,14H,4-7H2,1-3H3
InChIKeyRAPIBVBHGYDQTJ-UHFFFAOYSA-N
XLogP1.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656
5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231619
2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine
CID 112519355
tert-butyl 2-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 91368928
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 84784625
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84795515
5-(2-fluoropropan-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 84782347
5-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973513
5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973111
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine
CID 105446545
1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 84734214

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine (CID 117231618) is 5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine is CC(C)(C)Oc1cnc(CC2CCCN2)nc1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine?
The InChIKey is RAPIBVBHGYDQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)17-11-8-15-12(16-9-11)7-10-5-4-6-14-10/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine?
5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine has a molecular weight of 235.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine is sourced from PubChem (CID 117231618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).