7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine

C6H5ClN4O — CID 117273792

IUPAC7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine
SMILESCc1nc2c(Cl)nc(N)nc2o1
InChIInChI=1S/C6H5ClN4O/c1-2-9-3-4(7)10-6(8)11-5(3)12-2/h1H3,(H2,8,10,11)
InChIKeyOPDQJJZSUMWKNB-UHFFFAOYSA-N
MW184.59 g/mol
LogP1.16
Rot. Bonds

About 7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine

7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine (PubChem CID 117273792) has the molecular formula C6H5ClN4O and a molecular weight of 184.59 g/mol. Its IUPAC name is 7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine
PubChem CID117273792
Molecular FormulaC6H5ClN4O
Molecular Weight184.59 g/mol
Exact Mass184.02
IUPAC Name7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine
SMILESCc1nc2c(Cl)nc(N)nc2o1
InChIInChI=1S/C6H5ClN4O/c1-2-9-3-4(7)10-6(8)11-5(3)12-2/h1H3,(H2,8,10,11)
InChIKeyOPDQJJZSUMWKNB-UHFFFAOYSA-N
XLogP1.16
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine (CID 117273792) is 7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for 7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine is Cc1nc2c(Cl)nc(N)nc2o1.
What is the InChIKey of 7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is OPDQJJZSUMWKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O/c1-2-9-3-4(7)10-6(8)11-5(3)12-2/h1H3,(H2,8,10,11).
What are the key properties of 7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine?
7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 184.59 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 117273792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).