5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine

C15H13N3S — CID 3151763

IUPAC5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
SMILESC=CCNc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C15H13N3S/c1-2-8-16-14-13-12(11-6-4-3-5-7-11)9-19-15(13)18-10-17-14/h2-7,9-10H,1,8H2,(H,16,17,18)
InChIKeyHDEJCXNQROYVAV-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.96
Rot. Bonds4

About 5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine

5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 3151763) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
PubChem CID3151763
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
SMILESC=CCNc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C15H13N3S/c1-2-8-16-14-13-12(11-6-4-3-5-7-11)9-19-15(13)18-10-17-14/h2-7,9-10H,1,8H2,(H,16,17,18)
InChIKeyHDEJCXNQROYVAV-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 15746030
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
N-[(6-methyl-2-pyridinyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68621787
methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 4963724
4-oxo-4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]but-2-enoic acid
CID 2796110
5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 705842
N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 733188
4-iodo-5-phenylthieno[2,3-d]pyrimidine
CID 147258357
2-chloro-N-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 46443926
4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 2424566
2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019
5-(4-methylphenyl)-N-(2-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine
CID 174494783

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine (CID 3151763) is 5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine is C=CCNc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of 5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HDEJCXNQROYVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-2-8-16-14-13-12(11-6-4-3-5-7-11)9-19-15(13)18-10-17-14/h2-7,9-10H,1,8H2,(H,16,17,18).
What are the key properties of 5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine?
5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 267.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3151763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).