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

C16H17N3OS — CID 83192987

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCOc3ccccc32)nc2c1CSC2
InChIInChI=1S/C16H17N3OS/c1-17-15-12-8-21-9-13(12)18-16(19-15)11-6-7-20-14-5-3-2-4-10(11)14/h2-5,11H,6-9H2,1H3,(H,17,18,19)
InChIKeyLUKRMHGOMCPTQF-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.18
Rot. Bonds2

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

2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83192987) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83192987
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCOc3ccccc32)nc2c1CSC2
InChIInChI=1S/C16H17N3OS/c1-17-15-12-8-21-9-13(12)18-16(19-15)11-6-7-20-14-5-3-2-4-10(11)14/h2-5,11H,6-9H2,1H3,(H,17,18,19)
InChIKeyLUKRMHGOMCPTQF-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83192987) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(C2CCOc3ccccc32)nc2c1CSC2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is LUKRMHGOMCPTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-17-15-12-8-21-9-13(12)18-16(19-15)11-6-7-20-14-5-3-2-4-10(11)14/h2-5,11H,6-9H2,1H3,(H,17,18,19).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.18, 2 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)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83192987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).