4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine

C15H15Cl2N3O — CID 175166675

IUPAC4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine
SMILESCCc1cc(C2CCOc3cc(Cl)cc(Cl)c32)nc(N)n1
InChIInChI=1S/C15H15Cl2N3O/c1-2-9-7-12(20-15(18)19-9)10-3-4-21-13-6-8(16)5-11(17)14(10)13/h5-7,10H,2-4H2,1H3,(H2,18,19,20)
InChIKeyMDEROEAFHMYHJI-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.84
Rot. Bonds2

About 4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine

4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine (PubChem CID 175166675) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine
PubChem CID175166675
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine
SMILESCCc1cc(C2CCOc3cc(Cl)cc(Cl)c32)nc(N)n1
InChIInChI=1S/C15H15Cl2N3O/c1-2-9-7-12(20-15(18)19-9)10-3-4-21-13-6-8(16)5-11(17)14(10)13/h5-7,10H,2-4H2,1H3,(H2,18,19,20)
InChIKeyMDEROEAFHMYHJI-UHFFFAOYSA-N
XLogP3.84
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine?
The IUPAC name of 4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine (CID 175166675) is 4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine is CCc1cc(C2CCOc3cc(Cl)cc(Cl)c32)nc(N)n1.
What is the InChIKey of 4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine?
The InChIKey is MDEROEAFHMYHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-2-9-7-12(20-15(18)19-9)10-3-4-21-13-6-8(16)5-11(17)14(10)13/h5-7,10H,2-4H2,1H3,(H2,18,19,20).
What are the key properties of 4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine?
4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine has a molecular weight of 324.21 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dichloro-3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-2-amine is sourced from PubChem (CID 175166675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).