N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine

C18H19N3OS — CID 117090815

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2nc(-c3cccs3)ncc2C)cc1
InChIInChI=1S/C18H19N3OS/c1-13-12-20-18(16-4-3-11-23-16)21-17(13)19-10-9-14-5-7-15(22-2)8-6-14/h3-8,11-12H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyVHMWROWFZGILPB-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.18
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine

N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine (PubChem CID 117090815) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine
PubChem CID117090815
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2nc(-c3cccs3)ncc2C)cc1
InChIInChI=1S/C18H19N3OS/c1-13-12-20-18(16-4-3-11-23-16)21-17(13)19-10-9-14-5-7-15(22-2)8-6-14/h3-8,11-12H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyVHMWROWFZGILPB-UHFFFAOYSA-N
XLogP4.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 117090908
4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine
CID 117089303
5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 55090566
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine
CID 117087438
2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79075871
N-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 25475926
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82102654
N-[2-(2-methoxyphenyl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964419
4-methoxy-2-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323250
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093965

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine (CID 117090815) is N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine is COc1ccc(CCNc2nc(-c3cccs3)ncc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is VHMWROWFZGILPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-12-20-18(16-4-3-11-23-16)21-17(13)19-10-9-14-5-7-15(22-2)8-6-14/h3-8,11-12H,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine?
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 325.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 117090815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).