N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C14H16N4OS — CID 102686571

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1noc(C)c1C(C)Nc1ncnc2c(C)csc12
InChIInChI=1S/C14H16N4OS/c1-7-5-20-13-12(7)15-6-16-14(13)17-8(2)11-9(3)18-19-10(11)4/h5-6,8H,1-4H3,(H,15,16,17)
InChIKeyNRCNCJUJDSPSMK-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.78
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686571) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686571
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1noc(C)c1C(C)Nc1ncnc2c(C)csc12
InChIInChI=1S/C14H16N4OS/c1-7-5-20-13-12(7)15-6-16-14(13)17-8(2)11-9(3)18-19-10(11)4/h5-6,8H,1-4H3,(H,15,16,17)
InChIKeyNRCNCJUJDSPSMK-UHFFFAOYSA-N
XLogP3.78
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686571) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1noc(C)c1C(C)Nc1ncnc2c(C)csc12.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is NRCNCJUJDSPSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-7-5-20-13-12(7)15-6-16-14(13)17-8(2)11-9(3)18-19-10(11)4/h5-6,8H,1-4H3,(H,15,16,17).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 288.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).