4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine

C16H25N3OS — CID 103331315

IUPAC4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCCCCOc1nc(NCCC)nc2sc(C)cc12
InChIInChI=1S/C16H25N3OS/c1-4-6-7-8-10-20-14-13-11-12(3)21-15(13)19-16(18-14)17-9-5-2/h11H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyLTSUADYJGSYIDH-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.78
Rot. Bonds9

About 4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine

4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331315) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331315
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCCCCOc1nc(NCCC)nc2sc(C)cc12
InChIInChI=1S/C16H25N3OS/c1-4-6-7-8-10-20-14-13-11-12(3)21-15(13)19-16(18-14)17-9-5-2/h11H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyLTSUADYJGSYIDH-UHFFFAOYSA-N
XLogP4.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331259
4-(1-methoxypropan-2-yloxy)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332606
[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336016
6-methyl-4-(oxolan-3-yloxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332717
4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 106795340
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325198
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331371
N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103332934
N-ethyl-6-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332290
3-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 103335156

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine (CID 103331315) is 4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine is CCCCCCOc1nc(NCCC)nc2sc(C)cc12.
What is the InChIKey of 4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is LTSUADYJGSYIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-6-7-8-10-20-14-13-11-12(3)21-15(13)19-16(18-14)17-9-5-2/h11H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine?
4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 307.46 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).