3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C9H12N4O — CID 3806902

IUPAC3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCCNc1ncnc2onc(C)c12
InChIInChI=1S/C9H12N4O/c1-3-4-10-8-7-6(2)13-14-9(7)12-5-11-8/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyKGKKPMDAMDPNJB-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.75
Rot. Bonds3

About 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 3806902) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID3806902
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCCNc1ncnc2onc(C)c12
InChIInChI=1S/C9H12N4O/c1-3-4-10-8-7-6(2)13-14-9(7)12-5-11-8/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyKGKKPMDAMDPNJB-UHFFFAOYSA-N
XLogP1.75
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 3806902) is 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCCNc1ncnc2onc(C)c12.
What is the InChIKey of 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KGKKPMDAMDPNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-4-10-8-7-6(2)13-14-9(7)12-5-11-8/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 192.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 3806902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).