N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine

C11H15N3OS — CID 2394978

IUPACN-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCOCCCNc1ncnc2sccc12
InChIInChI=1S/C11H15N3OS/c1-2-15-6-3-5-12-10-9-4-7-16-11(9)14-8-13-10/h4,7-8H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyHCCQBYHVVAZJOE-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.53
Rot. Bonds6

About N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine

N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2394978) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2394978
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCOCCCNc1ncnc2sccc12
InChIInChI=1S/C11H15N3OS/c1-2-15-6-3-5-12-10-9-4-7-16-11(9)14-8-13-10/h4,7-8H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyHCCQBYHVVAZJOE-UHFFFAOYSA-N
XLogP2.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.53
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

1-{Thieno[2,3-d]pyrimidin-4-yl}piperazine
CID 16768198
4-Aminothieno(2,3-d)pyrimidine
CID 4269486
T6264821
CID 2481147
N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 3385586
N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 3469075
5-(4-Morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 56833540
[Phosphono-(thieno[2,3-d]pyrimidin-4-ylamino)methyl]phosphonic acid
CID 71583204
2-(4-{Thieno[2,3-d]pyrimidin-4-yl}piperazin-1-yl)ethan-1-ol
CID 2537688
1-[3-(Thieno[2,3-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one
CID 5161259
N,N-diethylthieno[2,3-d]pyrimidin-4-amine
CID 2808589
5-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 44379610
4-N,4-N-dimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylcyclohexane-1,4-diamine
CID 117826679

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine (CID 2394978) is N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine is CCOCCCNc1ncnc2sccc12.
What is the InChIKey of N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HCCQBYHVVAZJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-15-6-3-5-12-10-9-4-7-16-11(9)14-8-13-10/h4,7-8H,2-3,5-6H2,1H3,(H,12,13,14).
What are the key properties of N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine?
N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 237.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2394978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).