N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine

C13H19N3OS — CID 103331646

IUPACN-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
SMILESCCCCCOc1nc(NCC)nc2sccc12
InChIInChI=1S/C13H19N3OS/c1-3-5-6-8-17-11-10-7-9-18-12(10)16-13(15-11)14-4-2/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyPQCUIPYOADFWGP-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.69
Rot. Bonds7

About N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine

N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331646) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
PubChem CID103331646
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
SMILESCCCCCOc1nc(NCC)nc2sccc12
InChIInChI=1S/C13H19N3OS/c1-3-5-6-8-17-11-10-7-9-18-12(10)16-13(15-11)14-4-2/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyPQCUIPYOADFWGP-UHFFFAOYSA-N
XLogP3.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.69
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

N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333321
(4-butoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336122
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
CID 103331360
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332005
4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332454
4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331816
[4-(2-methoxyethoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336076
N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333526

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine (CID 103331646) is N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine is CCCCCOc1nc(NCC)nc2sccc12.
What is the InChIKey of N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine?
The InChIKey is PQCUIPYOADFWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-5-6-8-17-11-10-7-9-18-12(10)16-13(15-11)14-4-2/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine has a molecular weight of 265.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).