5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine

C20H14Cl2N4S — CID 24760513

IUPAC5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine
SMILESCc1cc(-c2ccc(Cl)c(Cl)c2)cc(-c2ccc(-c3cnc(N)nc3)s2)n1
InChIInChI=1S/C20H14Cl2N4S/c1-11-6-13(12-2-3-15(21)16(22)7-12)8-17(26-11)19-5-4-18(27-19)14-9-24-20(23)25-10-14/h2-10H,1H3,(H2,23,24,25)
InChIKeyOQVSFIOABHADBG-UHFFFAOYSA-N
MW413.33 g/mol
LogP6.13
Rot. Bonds3

About 5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine

5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine (PubChem CID 24760513) has the molecular formula C20H14Cl2N4S and a molecular weight of 413.33 g/mol. Its IUPAC name is 5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine
PubChem CID24760513
Molecular FormulaC20H14Cl2N4S
Molecular Weight413.33 g/mol
Exact Mass412.03
IUPAC Name5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine
SMILESCc1cc(-c2ccc(Cl)c(Cl)c2)cc(-c2ccc(-c3cnc(N)nc3)s2)n1
InChIInChI=1S/C20H14Cl2N4S/c1-11-6-13(12-2-3-15(21)16(22)7-12)8-17(26-11)19-5-4-18(27-19)14-9-24-20(23)25-10-14/h2-10H,1H3,(H2,23,24,25)
InChIKeyOQVSFIOABHADBG-UHFFFAOYSA-N
XLogP6.13
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.33
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine (CID 24760513) is 5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine is Cc1cc(-c2ccc(Cl)c(Cl)c2)cc(-c2ccc(-c3cnc(N)nc3)s2)n1.
What is the InChIKey of 5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine?
The InChIKey is OQVSFIOABHADBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4S/c1-11-6-13(12-2-3-15(21)16(22)7-12)8-17(26-11)19-5-4-18(27-19)14-9-24-20(23)25-10-14/h2-10H,1H3,(H2,23,24,25).
What are the key properties of 5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine?
5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine has a molecular weight of 413.33 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]thiophen-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 24760513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).