6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine

C18H18FN3OS — CID 175922408

IUPAC6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
SMILESCCOc1csc(-c2cc(NCCc3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C18H18FN3OS/c1-2-23-15-9-17(24-11-15)16-10-18(22-12-21-16)20-8-7-13-3-5-14(19)6-4-13/h3-6,9-12H,2,7-8H2,1H3,(H,20,21,22)
InChIKeyCRWDBFRPOLOPIQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.40
Rot. Bonds7

About 6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine

6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine (PubChem CID 175922408) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
PubChem CID175922408
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
SMILESCCOc1csc(-c2cc(NCCc3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C18H18FN3OS/c1-2-23-15-9-17(24-11-15)16-10-18(22-12-21-16)20-8-7-13-3-5-14(19)6-4-13/h3-6,9-12H,2,7-8H2,1H3,(H,20,21,22)
InChIKeyCRWDBFRPOLOPIQ-UHFFFAOYSA-N
XLogP4.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-ethoxy-4-fluorophenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 175922419
6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine
CID 175954499
N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 146624200
N-[2-(4-bromo-2-methylphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 175922417
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860201
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
1-[2-[[6-(4-ethoxythiophen-2-yl)pyrimidin-4-yl]amino]ethyl]-6-fluoro-4-methylindole-2-carbonitrile
CID 175760389
N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 135333449
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
N-[2-(5-chloro-7-methoxy-2-methyl-1-benzofuran-3-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 175793430
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859723
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860060

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine (CID 175922408) is 6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine is CCOc1csc(-c2cc(NCCc3ccc(F)cc3)ncn2)c1.
What is the InChIKey of 6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine?
The InChIKey is CRWDBFRPOLOPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-2-23-15-9-17(24-11-15)16-10-18(22-12-21-16)20-8-7-13-3-5-14(19)6-4-13/h3-6,9-12H,2,7-8H2,1H3,(H,20,21,22).
What are the key properties of 6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine?
6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine has a molecular weight of 343.43 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 175922408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).