4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C14H22N4OS — CID 103325198

IUPAC4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCOCC)c2cc(C)sc2n1
InChIInChI=1S/C14H22N4OS/c1-4-6-16-14-17-12(15-7-8-19-5-2)11-9-10(3)20-13(11)18-14/h9H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyQNQGGMSGWUOLNP-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.27
Rot. Bonds8

About 4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325198) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325198
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCOCC)c2cc(C)sc2n1
InChIInChI=1S/C14H22N4OS/c1-4-6-16-14-17-12(15-7-8-19-5-2)11-9-10(3)20-13(11)18-14/h9H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyQNQGGMSGWUOLNP-UHFFFAOYSA-N
XLogP3.27
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.27
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-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
6-methyl-4-N-(2-methylsulfanylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328024
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329480
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea
CID 103329585
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324235
6-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323240
2-methyl-2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324837
2-hydrazinyl-6-methyl-N-(3-propoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335525
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327093
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324859

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103325198) is 4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NCCOCC)c2cc(C)sc2n1.
What is the InChIKey of 4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QNQGGMSGWUOLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-6-16-14-17-12(15-7-8-19-5-2)11-9-10(3)20-13(11)18-14/h9H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 294.42 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).