N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine

C12H13N5OS — CID 103333102

IUPACN-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cc(C)[nH]n2)c2ccsc2n1
InChIInChI=1S/C12H13N5OS/c1-3-13-12-14-10(8-4-5-19-11(8)15-12)18-9-6-7(2)16-17-9/h4-6H,3H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyCGBIGLYCIIFKMW-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.95
Rot. Bonds4

About N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine

N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333102) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
PubChem CID103333102
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC NameN-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cc(C)[nH]n2)c2ccsc2n1
InChIInChI=1S/C12H13N5OS/c1-3-13-12-14-10(8-4-5-19-11(8)15-12)18-9-6-7(2)16-17-9/h4-6H,3H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyCGBIGLYCIIFKMW-UHFFFAOYSA-N
XLogP2.95
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331816
4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332454
4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 107287415
N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842
N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332005
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331903
N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333500
4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103333352
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
CID 103331360
N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566566
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-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine (CID 103333102) is N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Oc2cc(C)[nH]n2)c2ccsc2n1.
What is the InChIKey of N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is CGBIGLYCIIFKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-3-13-12-14-10(8-4-5-19-11(8)15-12)18-9-6-7(2)16-17-9/h4-6H,3H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 275.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).