methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine

C10H15N3O — CID 145141656

IUPACmethane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESC.Cc1noc2cnc(C(C)C)nc12
InChIInChI=1S/C9H11N3O.CH4/c1-5(2)9-10-4-7-8(11-9)6(3)12-13-7;/h4-5H,1-3H3;1H4
InChIKeyTVCPPBXKRVXMDP-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.69
Rot. Bonds1

About methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine

methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine (PubChem CID 145141656) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Namemethane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine
PubChem CID145141656
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Namemethane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine
SMILESC.Cc1noc2cnc(C(C)C)nc12
InChIInChI=1S/C9H11N3O.CH4/c1-5(2)9-10-4-7-8(11-9)6(3)12-13-7;/h4-5H,1-3H3;1H4
InChIKeyTVCPPBXKRVXMDP-UHFFFAOYSA-N
XLogP2.69
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine?
The IUPAC name of methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine (CID 145141656) is methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine.
What is the SMILES notation for methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine?
The canonical SMILES for methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine is C.Cc1noc2cnc(C(C)C)nc12.
What is the InChIKey of methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine?
The InChIKey is TVCPPBXKRVXMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.CH4/c1-5(2)9-10-4-7-8(11-9)6(3)12-13-7;/h4-5H,1-3H3;1H4.
What are the key properties of methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine?
methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine has a molecular weight of 193.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine is sourced from PubChem (CID 145141656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).