2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine

C15H24N4OS — CID 103329480

IUPAC2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCOCCCNc1nc(NCC)nc2sc(C)cc12
InChIInChI=1S/C15H24N4OS/c1-4-8-20-9-6-7-17-13-12-10-11(3)21-14(12)19-15(18-13)16-5-2/h10H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyFIXKNDZULMHWFI-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.66
Rot. Bonds9

About 2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329480) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329480
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCOCCCNc1nc(NCC)nc2sc(C)cc12
InChIInChI=1S/C15H24N4OS/c1-4-8-20-9-6-7-17-13-12-10-11(3)21-14(12)19-15(18-13)16-5-2/h10H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyFIXKNDZULMHWFI-UHFFFAOYSA-N
XLogP3.66
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol
CID 106311471
2-hydrazinyl-6-methyl-N-(3-propoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335525
4-N-(3-cyclopropylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330558
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
4-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103325302
4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325198
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
4-N-(2-cyclopentylethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325352
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103329480) is 2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCCOCCCNc1nc(NCC)nc2sc(C)cc12.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is FIXKNDZULMHWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-4-8-20-9-6-7-17-13-12-10-11(3)21-14(12)19-15(18-13)16-5-2/h10H,4-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 308.45 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).