2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C14H20N4OS — CID 103325225

IUPAC2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C2CCOCC2)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c1-3-15-14-16-12(11-6-9-20-13(11)17-14)18(2)10-4-7-19-8-5-10/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyFDAUPXHHGSIAOE-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.74
Rot. Bonds4

About 2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325225) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325225
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C2CCOCC2)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c1-3-15-14-16-12(11-6-9-20-13(11)17-14)18(2)10-4-7-19-8-5-10/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyFDAUPXHHGSIAOE-UHFFFAOYSA-N
XLogP2.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103325225) is 2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(N(C)C2CCOCC2)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is FDAUPXHHGSIAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-15-14-16-12(11-6-9-20-13(11)17-14)18(2)10-4-7-19-8-5-10/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 292.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).