6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C15H15Cl2N3O — CID 61016507

IUPAC6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1nccc(CNC2CCOc3c(Cl)cc(Cl)cc32)n1
InChIInChI=1S/C15H15Cl2N3O/c1-9-18-4-2-11(20-9)8-19-14-3-5-21-15-12(14)6-10(16)7-13(15)17/h2,4,6-7,14,19H,3,5,8H2,1H3
InChIKeyIDUOUONIUNLCTG-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.71
Rot. Bonds3

About 6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 61016507) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID61016507
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1nccc(CNC2CCOc3c(Cl)cc(Cl)cc32)n1
InChIInChI=1S/C15H15Cl2N3O/c1-9-18-4-2-11(20-9)8-19-14-3-5-21-15-12(14)6-10(16)7-13(15)17/h2,4,6-7,14,19H,3,5,8H2,1H3
InChIKeyIDUOUONIUNLCTG-UHFFFAOYSA-N
XLogP3.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 61016507) is 6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1nccc(CNC2CCOc3c(Cl)cc(Cl)cc32)n1.
What is the InChIKey of 6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IDUOUONIUNLCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-9-18-4-2-11(20-9)8-19-14-3-5-21-15-12(14)6-10(16)7-13(15)17/h2,4,6-7,14,19H,3,5,8H2,1H3.
What are the key properties of 6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 324.21 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 61016507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).