6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C14H16N4OS — CID 51114014

IUPAC6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)Cc3cc(C)on3)ncnc2s1
InChIInChI=1S/C14H16N4OS/c1-4-11-6-12-13(15-8-16-14(12)20-11)18(3)7-10-5-9(2)19-17-10/h5-6,8H,4,7H2,1-3H3
InChIKeyKLUMPSVATUAOPB-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.19
Rot. Bonds4

About 6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 51114014) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID51114014
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)Cc3cc(C)on3)ncnc2s1
InChIInChI=1S/C14H16N4OS/c1-4-11-6-12-13(15-8-16-14(12)20-11)18(3)7-10-5-9(2)19-17-10/h5-6,8H,4,7H2,1-3H3
InChIKeyKLUMPSVATUAOPB-UHFFFAOYSA-N
XLogP3.19
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 51114014) is 6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N(C)Cc3cc(C)on3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KLUMPSVATUAOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-4-11-6-12-13(15-8-16-14(12)20-11)18(3)7-10-5-9(2)19-17-10/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 288.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 51114014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).