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

C12H13N5OS — CID 103333500

IUPACN-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cnn(C)c2)c2ccsc2n1
InChIInChI=1S/C12H13N5OS/c1-3-13-12-15-10(9-4-5-19-11(9)16-12)18-8-6-14-17(2)7-8/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyMTOCRHVDEGVIAT-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.65
Rot. Bonds4

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

N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333500) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
PubChem CID103333500
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC NameN-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cnn(C)c2)c2ccsc2n1
InChIInChI=1S/C12H13N5OS/c1-3-13-12-15-10(9-4-5-19-11(9)16-12)18-8-6-14-17(2)7-8/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyMTOCRHVDEGVIAT-UHFFFAOYSA-N
XLogP2.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-(1-propylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333526
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-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334675
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
4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331816
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646
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
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
CID 103331360

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine (CID 103333500) is N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Oc2cnn(C)c2)c2ccsc2n1.
What is the InChIKey of N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine?
The InChIKey is MTOCRHVDEGVIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-3-13-12-15-10(9-4-5-19-11(9)16-12)18-8-6-14-17(2)7-8/h4-7H,3H2,1-2H3,(H,13,15,16).
What are the key properties of N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine has a molecular weight of 275.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).