N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C15H16N4OS — CID 72899464

IUPACN,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCSc1cccc(CN(C)c2ncnc3oc(C)nc23)c1
InChIInChI=1S/C15H16N4OS/c1-10-18-13-14(16-9-17-15(13)20-10)19(2)8-11-5-4-6-12(7-11)21-3/h4-7,9H,8H2,1-3H3
InChIKeyRXTKAWFCUUFVNY-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.28
Rot. Bonds4

About N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 72899464) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID72899464
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCSc1cccc(CN(C)c2ncnc3oc(C)nc23)c1
InChIInChI=1S/C15H16N4OS/c1-10-18-13-14(16-9-17-15(13)20-10)19(2)8-11-5-4-6-12(7-11)21-3/h4-7,9H,8H2,1-3H3
InChIKeyRXTKAWFCUUFVNY-UHFFFAOYSA-N
XLogP3.28
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 72899464) is N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is CSc1cccc(CN(C)c2ncnc3oc(C)nc23)c1.
What is the InChIKey of N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is RXTKAWFCUUFVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-18-13-14(16-9-17-15(13)20-10)19(2)8-11-5-4-6-12(7-11)21-3/h4-7,9H,8H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 300.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 72899464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).