2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C15H15N3OS — CID 83192961

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(C2CCOc3ccccc32)nc2c1CSC2
InChIInChI=1S/C15H15N3OS/c16-14-11-7-20-8-12(11)17-15(18-14)10-5-6-19-13-4-2-1-3-9(10)13/h1-4,10H,5-8H2,(H2,16,17,18)
InChIKeySGPXWTDXTFENNM-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.72
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83192961) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83192961
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(C2CCOc3ccccc32)nc2c1CSC2
InChIInChI=1S/C15H15N3OS/c16-14-11-7-20-8-12(11)17-15(18-14)10-5-6-19-13-4-2-1-3-9(10)13/h1-4,10H,5-8H2,(H2,16,17,18)
InChIKeySGPXWTDXTFENNM-UHFFFAOYSA-N
XLogP2.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192987
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
CID 66298443
4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 65407159
2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 106601914
4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid
CID 116647303
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66300749
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192959
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65405097
3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole
CID 55227631
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 65414507
5-(3,4-dihydro-2H-chromen-4-yl)-3-phenyl-1H-1,2,4-triazole
CID 63708320

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83192961) is 2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(C2CCOc3ccccc32)nc2c1CSC2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is SGPXWTDXTFENNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-14-11-7-20-8-12(11)17-15(18-14)10-5-6-19-13-4-2-1-3-9(10)13/h1-4,10H,5-8H2,(H2,16,17,18).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83192961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).