2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

C15H23N3OS — CID 116728435

IUPAC2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C(OCC)C(C)C)nc2sccc12
InChIInChI=1S/C15H23N3OS/c1-5-8-16-13-11-7-9-20-15(11)18-14(17-13)12(10(3)4)19-6-2/h7,9-10,12H,5-6,8H2,1-4H3,(H,16,17,18)
InChIKeyZLLVLHSSMDKXDA-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.25
Rot. Bonds7

About 2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 116728435) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID116728435
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C(OCC)C(C)C)nc2sccc12
InChIInChI=1S/C15H23N3OS/c1-5-8-16-13-11-7-9-20-15(11)18-14(17-13)12(10(3)4)19-6-2/h7,9-10,12H,5-6,8H2,1-4H3,(H,16,17,18)
InChIKeyZLLVLHSSMDKXDA-UHFFFAOYSA-N
XLogP4.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728436
2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728427
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188539
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
2-phenyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 13038355
2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485547
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327329
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395
2-(1-methoxy-2-methylpropyl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728563
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193587
2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 82007213

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 116728435) is 2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(C(OCC)C(C)C)nc2sccc12.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZLLVLHSSMDKXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-5-8-16-13-11-7-9-20-15(11)18-14(17-13)12(10(3)4)19-6-2/h7,9-10,12H,5-6,8H2,1-4H3,(H,16,17,18).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 293.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 116728435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).