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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Related Compounds

N-(4-((3-(2-Amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine
CID 24856041
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
N-(6-methoxy-4-methylquinolin-2-yl)-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 9927967
2-(4-methoxyphenyl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 44454941
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164615715
N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 5157219
N-(4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 16370450
N4-[3-(dimethylamino)propyl]-6-(6-methoxy-3-pyridyl)-N2-methyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 76325260
N-(4-Methoxy-phenyl)-6-(4-methyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 1090234
N-(4-methoxyphenyl)-2-(thiophen-2-yl)quinazolin-4-amine
CID 2473040
N-(4-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9968856
N*2*-(4-Methoxy-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 10474673

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).