N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine

C14H17N5OS — CID 103333526

IUPACN-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
SMILESCCCn1cc(Oc2nc(NCC)nc3sccc23)cn1
InChIInChI=1S/C14H17N5OS/c1-3-6-19-9-10(8-16-19)20-12-11-5-7-21-13(11)18-14(17-12)15-4-2/h5,7-9H,3-4,6H2,1-2H3,(H,15,17,18)
InChIKeyNEEFOKCKASVYPP-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.52
Rot. Bonds6

About N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine

N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333526) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
PubChem CID103333526
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
SMILESCCCn1cc(Oc2nc(NCC)nc3sccc23)cn1
InChIInChI=1S/C14H17N5OS/c1-3-6-19-9-10(8-16-19)20-12-11-5-7-21-13(11)18-14(17-12)15-4-2/h5,7-9H,3-4,6H2,1-2H3,(H,15,17,18)
InChIKeyNEEFOKCKASVYPP-UHFFFAOYSA-N
XLogP3.52
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333500
4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332454
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331903
N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646
4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103333352
N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332005
N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806326
4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331816
3,5-dichloro-N-ethyl-6-(1-propylpyrazol-4-yl)oxypyridin-2-amine
CID 102761179
N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 103333102
4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 107287415

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine (CID 103333526) is N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine is CCCn1cc(Oc2nc(NCC)nc3sccc23)cn1.
What is the InChIKey of N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine?
The InChIKey is NEEFOKCKASVYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-3-6-19-9-10(8-16-19)20-12-11-5-7-21-13(11)18-14(17-12)15-4-2/h5,7-9H,3-4,6H2,1-2H3,(H,15,17,18).
What are the key properties of N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine has a molecular weight of 303.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).