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

C15H15N3OS — CID 103331360

IUPACN-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(OCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C15H15N3OS/c1-2-16-15-17-13(12-8-9-20-14(12)18-15)19-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,16,17,18)
InChIKeyIXFCYPVIAXFQCS-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.70
Rot. Bonds5

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

N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331360) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
PubChem CID103331360
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(OCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C15H15N3OS/c1-2-16-15-17-13(12-8-9-20-14(12)18-15)19-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,16,17,18)
InChIKeyIXFCYPVIAXFQCS-UHFFFAOYSA-N
XLogP3.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646
2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine
CID 175578608
N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332005
N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333321
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
4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331816
N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333500
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
N-ethyl-5-phenylmethoxypyrimidin-2-amine
CID 130337236

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine (CID 103331360) is N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine is CCNc1nc(OCc2ccccc2)c2ccsc2n1.
What is the InChIKey of N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine?
The InChIKey is IXFCYPVIAXFQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-16-15-17-13(12-8-9-20-14(12)18-15)19-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,16,17,18).
What are the key properties of N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).