N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine

C21H18N4OS — CID 5191260

IUPACN-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3cncc(-c4cccs4)c3)nc(C)n2)cc1
InChIInChI=1S/C21H18N4OS/c1-14-23-19(15-10-16(13-22-12-15)20-4-3-9-27-20)11-21(24-14)25-17-5-7-18(26-2)8-6-17/h3-13H,1-2H3,(H,23,24,25)
InChIKeyZNZNXLQHGQGIOR-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.33
Rot. Bonds5

About N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine

N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 5191260) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
PubChem CID5191260
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-c3cncc(-c4cccs4)c3)nc(C)n2)cc1
InChIInChI=1S/C21H18N4OS/c1-14-23-19(15-10-16(13-22-12-15)20-4-3-9-27-20)11-21(24-14)25-17-5-7-18(26-2)8-6-17/h3-13H,1-2H3,(H,23,24,25)
InChIKeyZNZNXLQHGQGIOR-UHFFFAOYSA-N
XLogP5.33
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine (CID 5191260) is N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine is COc1ccc(Nc2cc(-c3cncc(-c4cccs4)c3)nc(C)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is ZNZNXLQHGQGIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-14-23-19(15-10-16(13-22-12-15)20-4-3-9-27-20)11-21(24-14)25-17-5-7-18(26-2)8-6-17/h3-13H,1-2H3,(H,23,24,25).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine?
N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 374.47 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 5191260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).