3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine

C14H19N5O — CID 63277003

IUPAC3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCCC3C3CCCN3)c12
InChIInChI=1S/C14H19N5O/c1-9-12-13(16-8-17-14(12)20-18-9)19-7-3-5-11(19)10-4-2-6-15-10/h8,10-11,15H,2-7H2,1H3
InChIKeyHVYASISTTPXNHE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.65
Rot. Bonds2

About 3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine

3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 63277003) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID63277003
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(N3CCCC3C3CCCN3)c12
InChIInChI=1S/C14H19N5O/c1-9-12-13(16-8-17-14(12)20-18-9)19-7-3-5-11(19)10-4-2-6-15-10/h8,10-11,15H,2-7H2,1H3
InChIKeyHVYASISTTPXNHE-UHFFFAOYSA-N
XLogP1.65
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine (CID 63277003) is 3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(N3CCCC3C3CCCN3)c12.
What is the InChIKey of 3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is HVYASISTTPXNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-12-13(16-8-17-14(12)20-18-9)19-7-3-5-11(19)10-4-2-6-15-10/h8,10-11,15H,2-7H2,1H3.
What are the key properties of 3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine?
3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 273.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 63277003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).