N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C11H15N5O — CID 63301347

IUPACN,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(N(C)C3CCNC3)c12
InChIInChI=1S/C11H15N5O/c1-7-9-10(13-6-14-11(9)17-15-7)16(2)8-3-4-12-5-8/h6,8,12H,3-5H2,1-2H3
InChIKeyZKRSEFCGXYIQAS-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.72
Rot. Bonds2

About N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 63301347) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID63301347
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(N(C)C3CCNC3)c12
InChIInChI=1S/C11H15N5O/c1-7-9-10(13-6-14-11(9)17-15-7)16(2)8-3-4-12-5-8/h6,8,12H,3-5H2,1-2H3
InChIKeyZKRSEFCGXYIQAS-UHFFFAOYSA-N
XLogP0.72
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 63301347) is N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(N(C)C3CCNC3)c12.
What is the InChIKey of N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZKRSEFCGXYIQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-9-10(13-6-14-11(9)17-15-7)16(2)8-3-4-12-5-8/h6,8,12H,3-5H2,1-2H3.
What are the key properties of N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 233.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63301347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).