4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C15H24N4OS — CID 103326475

IUPAC4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(N(CCOC)C(C)CC)nc(N)nc2s1
InChIInChI=1S/C15H24N4OS/c1-5-10(3)19(7-8-20-4)13-12-9-11(6-2)21-14(12)18-15(16)17-13/h9-10H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyRABULDRFZCVXOL-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.09
Rot. Bonds7

About 4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103326475) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103326475
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(N(CCOC)C(C)CC)nc(N)nc2s1
InChIInChI=1S/C15H24N4OS/c1-5-10(3)19(7-8-20-4)13-12-9-11(6-2)21-14(12)18-15(16)17-13/h9-10H,5-8H2,1-4H3,(H2,16,17,18)
InChIKeyRABULDRFZCVXOL-UHFFFAOYSA-N
XLogP3.09
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103326475) is 4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(N(CCOC)C(C)CC)nc(N)nc2s1.
What is the InChIKey of 4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is RABULDRFZCVXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-5-10(3)19(7-8-20-4)13-12-9-11(6-2)21-14(12)18-15(16)17-13/h9-10H,5-8H2,1-4H3,(H2,16,17,18).
What are the key properties of 4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 308.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103326475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).