4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine

C15H12ClN3O — CID 75359758

IUPAC4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)o1
InChIInChI=1S/C15H12ClN3O/c1-9-5-6-14(20-9)13-8-12(18-15(17)19-13)10-3-2-4-11(16)7-10/h2-8H,1H3,(H2,17,18,19)
InChIKeyPBBPDCBPFABILG-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.95
Rot. Bonds2

About 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine

4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine (PubChem CID 75359758) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
PubChem CID75359758
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)o1
InChIInChI=1S/C15H12ClN3O/c1-9-5-6-14(20-9)13-8-12(18-15(17)19-13)10-3-2-4-11(16)7-10/h2-8H,1H3,(H2,17,18,19)
InChIKeyPBBPDCBPFABILG-UHFFFAOYSA-N
XLogP3.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine (CID 75359758) is 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine is Cc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)o1.
What is the InChIKey of 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The InChIKey is PBBPDCBPFABILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-5-6-14(20-9)13-8-12(18-15(17)19-13)10-3-2-4-11(16)7-10/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine has a molecular weight of 285.73 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 75359758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).